N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine

C30H66N2 — CID 88621765

IUPACN,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine
SMILESCC(C)CCCCCCCCCCCCCN.CCCCCCCCCCCCN(C)C
InChIInChI=1S/C16H35N.C14H31N/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17;1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h16H,3-15,17H2,1-2H3;4-14H2,1-3H3
InChIKeyWQRRWNNXYOVYCQ-UHFFFAOYSA-N
MW454.87 g/mol
LogP9.75
Rot. Bonds24

About N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine

N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine (PubChem CID 88621765) has the molecular formula C30H66N2 and a molecular weight of 454.87 g/mol. Its IUPAC name is N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine.

Molecular Properties

Compound NameN,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine
PubChem CID88621765
Molecular FormulaC30H66N2
Molecular Weight454.87 g/mol
Exact Mass454.52
IUPAC NameN,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine
SMILESCC(C)CCCCCCCCCCCCCN.CCCCCCCCCCCCN(C)C
InChIInChI=1S/C16H35N.C14H31N/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17;1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h16H,3-15,17H2,1-2H3;4-14H2,1-3H3
InChIKeyWQRRWNNXYOVYCQ-UHFFFAOYSA-N
XLogP9.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.87
LogP ≤ 59.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174425037
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CID 54351766
36-methylheptatriacontan-1-amine
CID 134324173
N',N'-dimethylheptane-1,7-diamine
CID 3822076
N',N'-dimethylpentane-1,5-diamine
CID 3465925
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CID 139722753
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
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CID 139723142

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine?
The IUPAC name of N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine (CID 88621765) is N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine.
What is the SMILES notation for N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine?
The canonical SMILES for N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine is CC(C)CCCCCCCCCCCCCN.CCCCCCCCCCCCN(C)C.
What is the InChIKey of N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine?
The InChIKey is WQRRWNNXYOVYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.C14H31N/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17;1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h16H,3-15,17H2,1-2H3;4-14H2,1-3H3.
What are the key properties of N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine?
N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine has a molecular weight of 454.87 g/mol, XLogP of 9.75, 24 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine is sourced from PubChem (CID 88621765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).