ethane;N-methyl-N-propan-2-yldodecan-1-amine

C18H41N — CID 142585410

IUPACethane;N-methyl-N-propan-2-yldodecan-1-amine
SMILESCC.CCCCCCCCCCCCN(C)C(C)C
InChIInChI=1S/C16H35N.C2H6/c1-5-6-7-8-9-10-11-12-13-14-15-17(4)16(2)3;1-2/h16H,5-15H2,1-4H3;1-2H3
InChIKeyKAUBSWLGCIEKLA-UHFFFAOYSA-N
MW271.53 g/mol
LogP6.27
Rot. Bonds12

About ethane;N-methyl-N-propan-2-yldodecan-1-amine

ethane;N-methyl-N-propan-2-yldodecan-1-amine (PubChem CID 142585410) has the molecular formula C18H41N and a molecular weight of 271.53 g/mol. Its IUPAC name is ethane;N-methyl-N-propan-2-yldodecan-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-N-propan-2-yldodecan-1-amine
PubChem CID142585410
Molecular FormulaC18H41N
Molecular Weight271.53 g/mol
Exact Mass271.32
IUPAC Nameethane;N-methyl-N-propan-2-yldodecan-1-amine
SMILESCC.CCCCCCCCCCCCN(C)C(C)C
InChIInChI=1S/C16H35N.C2H6/c1-5-6-7-8-9-10-11-12-13-14-15-17(4)16(2)3;1-2/h16H,5-15H2,1-4H3;1-2H3
InChIKeyKAUBSWLGCIEKLA-UHFFFAOYSA-N
XLogP6.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.53
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
formic acid;N-methyl-N-propan-2-ylhexan-1-amine
CID 169177535
N-(1-bromopropan-2-yl)-N-methylheptan-1-amine
CID 104554827
N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine
CID 104554825
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine
CID 163400505
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
1-[dodecyl(methyl)amino]propane-1,2-diol
CID 129203951
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
1-[dodecyl(methyl)amino]ethyl-trimethylazanium
CID 141440762
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-propan-2-yldodecan-1-amine?
The IUPAC name of ethane;N-methyl-N-propan-2-yldodecan-1-amine (CID 142585410) is ethane;N-methyl-N-propan-2-yldodecan-1-amine.
What is the SMILES notation for ethane;N-methyl-N-propan-2-yldodecan-1-amine?
The canonical SMILES for ethane;N-methyl-N-propan-2-yldodecan-1-amine is CC.CCCCCCCCCCCCN(C)C(C)C.
What is the InChIKey of ethane;N-methyl-N-propan-2-yldodecan-1-amine?
The InChIKey is KAUBSWLGCIEKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.C2H6/c1-5-6-7-8-9-10-11-12-13-14-15-17(4)16(2)3;1-2/h16H,5-15H2,1-4H3;1-2H3.
What are the key properties of ethane;N-methyl-N-propan-2-yldodecan-1-amine?
ethane;N-methyl-N-propan-2-yldodecan-1-amine has a molecular weight of 271.53 g/mol, XLogP of 6.27, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-propan-2-yldodecan-1-amine is sourced from PubChem (CID 142585410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).