1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine

C20H44N2 — CID 91138408

IUPAC1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine
SMILESCCCC(C)C(CC)(CCCCCN(C)CC)CC(N)CC
InChIInChI=1S/C20H44N2/c1-7-14-18(5)20(9-3,17-19(21)8-2)15-12-11-13-16-22(6)10-4/h18-19H,7-17,21H2,1-6H3
InChIKeyWRTJUPKUIOREDQ-UHFFFAOYSA-N
MW312.59 g/mol
LogP5.46
Rot. Bonds14

About 1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine

1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine (PubChem CID 91138408) has the molecular formula C20H44N2 and a molecular weight of 312.59 g/mol. Its IUPAC name is 1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine.

Molecular Properties

Compound Name1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine
PubChem CID91138408
Molecular FormulaC20H44N2
Molecular Weight312.59 g/mol
Exact Mass312.35
IUPAC Name1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine
SMILESCCCC(C)C(CC)(CCCCCN(C)CC)CC(N)CC
InChIInChI=1S/C20H44N2/c1-7-14-18(5)20(9-3,17-19(21)8-2)15-12-11-13-16-22(6)10-4/h18-19H,7-17,21H2,1-6H3
InChIKeyWRTJUPKUIOREDQ-UHFFFAOYSA-N
XLogP5.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.59
LogP ≤ 55.46
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 139519336
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CID 174373981
N-ethyl-N-methyldodecan-1-amine;hydrochloride
CID 86105251
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine
CID 106799840
1-N,1-N-dimethyloctane-1,5-diamine
CID 118262358
N,N'-diethyl-N,N'-dimethylbutane-1,4-diamine;N-ethyl-N,N'-dimethyl-N'-pentylbutane-1,4-diamine;hexane
CID 160540999
ethane;N-ethyl-N-methylpentan-1-amine
CID 142145247
3,3-diethyl-2-methyldodecane
CID 151072312
(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine
CID 130522075
1-N-butyl-1-N-methylpentane-1,2-diamine
CID 43650417
1-N-decyl-1-N-methylpropane-1,2-diamine
CID 63758995

Frequently Asked Questions

What is the IUPAC name of 1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine?
The IUPAC name of 1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine (CID 91138408) is 1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine.
What is the SMILES notation for 1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine?
The canonical SMILES for 1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine is CCCC(C)C(CC)(CCCCCN(C)CC)CC(N)CC.
What is the InChIKey of 1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine?
The InChIKey is WRTJUPKUIOREDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2/c1-7-14-18(5)20(9-3,17-19(21)8-2)15-12-11-13-16-22(6)10-4/h18-19H,7-17,21H2,1-6H3.
What are the key properties of 1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine?
1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine has a molecular weight of 312.59 g/mol, XLogP of 5.46, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-diethyl-1-N-methyl-6-pentan-2-yldecane-1,8-diamine is sourced from PubChem (CID 91138408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).