N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine

C74H163N5O2 — CID 173438925

IUPACN,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine
SMILESCCCCCCCCCCCCCCCCN(C)C.CCCCCCCCCCCCCCN.CCCCCCCCCCCCN(C)C.CCCCCCCCCCCCN(CC)CC.CCCCCCCCCCCCN(O)O
InChIInChI=1S/C18H39N.C16H35N.2C14H31N.C12H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-4-7-8-9-10-11-12-13-14-15-16-17(5-2)6-3;1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h4-18H2,1-3H3;4-16H2,1-3H3;4-14H2,1-3H3;2-15H2,1H3;14-15H,2-12H2,1H3
InChIKeyPTCABLHMQZFDKT-UHFFFAOYSA-N
MW1155.15 g/mol
LogP24.38
Rot. Bonds62

About N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine

N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine (PubChem CID 173438925) has the molecular formula C74H163N5O2 and a molecular weight of 1155.15 g/mol. Its IUPAC name is N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine.

Molecular Properties

Compound NameN,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine
PubChem CID173438925
Molecular FormulaC74H163N5O2
Molecular Weight1155.15 g/mol
Exact Mass1154.28
IUPAC NameN,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine
SMILESCCCCCCCCCCCCCCCCN(C)C.CCCCCCCCCCCCCCN.CCCCCCCCCCCCN(C)C.CCCCCCCCCCCCN(CC)CC.CCCCCCCCCCCCN(O)O
InChIInChI=1S/C18H39N.C16H35N.2C14H31N.C12H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-4-7-8-9-10-11-12-13-14-15-16-17(5-2)6-3;1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h4-18H2,1-3H3;4-16H2,1-3H3;4-14H2,1-3H3;2-15H2,1H3;14-15H,2-12H2,1H3
InChIKeyPTCABLHMQZFDKT-UHFFFAOYSA-N
XLogP24.38
TPSA79.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds62
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.15
LogP ≤ 524.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 174486105
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N',N'-dimethylpropane-1,3-diamine;docosane
CID 174425037
N',N'-dioctadecylhexane-1,6-diamine
CID 142629874
N'-(7-aminoheptyl)-N'-hexadecyloctane-1,8-diamine
CID 161025353
N',N'-di(nonyl)pentane-1,5-diamine
CID 142498859
N,N-didodecyldodecan-1-amine;dodecan-1-amine
CID 161417481
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N',N'-dimethylheptane-1,7-diamine
CID 3822076
N',N'-dimethylicosane-1,20-diamine
CID 54351766
N',N'-dimethylpentane-1,5-diamine
CID 3465925
N-butyl-N-methylhydroxylamine;tetradecan-1-amine
CID 175891221

Frequently Asked Questions

What is the IUPAC name of N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine?
The IUPAC name of N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine (CID 173438925) is N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine.
What is the SMILES notation for N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine?
The canonical SMILES for N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine is CCCCCCCCCCCCCCCCN(C)C.CCCCCCCCCCCCCCN.CCCCCCCCCCCCN(C)C.CCCCCCCCCCCCN(CC)CC.CCCCCCCCCCCCN(O)O.
What is the InChIKey of N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine?
The InChIKey is PTCABLHMQZFDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.C16H35N.2C14H31N.C12H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-4-7-8-9-10-11-12-13-14-15-16-17(5-2)6-3;1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h4-18H2,1-3H3;4-16H2,1-3H3;4-14H2,1-3H3;2-15H2,1H3;14-15H,2-12H2,1H3.
What are the key properties of N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine?
N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine has a molecular weight of 1155.15 g/mol, XLogP of 24.38, 62 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine is sourced from PubChem (CID 173438925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).