3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine

C19H42N2 — CID 79058558

IUPAC3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine
SMILESCCCCCCCC(NCCC)C(C)(CC)N(CC)CC
InChIInChI=1S/C19H42N2/c1-7-12-13-14-15-16-18(20-17-8-2)19(6,9-3)21(10-4)11-5/h18,20H,7-17H2,1-6H3
InChIKeyDKIJIEULGSTCRL-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.23
Rot. Bonds14

About 3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine

3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine (PubChem CID 79058558) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is 3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine
PubChem CID79058558
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Name3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine
SMILESCCCCCCCC(NCCC)C(C)(CC)N(CC)CC
InChIInChI=1S/C19H42N2/c1-7-12-13-14-15-16-18(20-17-8-2)19(6,9-3)21(10-4)11-5/h18,20H,7-17H2,1-6H3
InChIKeyDKIJIEULGSTCRL-UHFFFAOYSA-N
XLogP5.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.23
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

3-N,3-N-diethyl-3-methyl-4-N-propyldecane-3,4-diamine
CID 79069155
4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine
CID 79057264
3-N,3-N-diethyl-3-methyl-4-N-propyloct-6-yne-3,4-diamine
CID 79068530
3-(diethylamino)-3-methylundecan-4-ol
CID 79064620
3-methoxy-3-methyl-N-propyldecan-4-amine
CID 116758213
3-methoxy-3-methyl-N-propyldodecan-4-amine
CID 116758147
3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine
CID 79069310
2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158
1,1,1-trifluoro-N-propylheptan-2-amine
CID 66205587
2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine
CID 79053578
2-N,2-N-diethyl-3-N,2-dimethylnonane-2,3-diamine
CID 79052771
2-N,2-N-diethyl-3-N,2-dimethyldecane-2,3-diamine
CID 79052772

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine?
The IUPAC name of 3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine (CID 79058558) is 3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine?
The canonical SMILES for 3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine is CCCCCCCC(NCCC)C(C)(CC)N(CC)CC.
What is the InChIKey of 3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine?
The InChIKey is DKIJIEULGSTCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-7-12-13-14-15-16-18(20-17-8-2)19(6,9-3)21(10-4)11-5/h18,20H,7-17H2,1-6H3.
What are the key properties of 3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine?
3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine has a molecular weight of 298.56 g/mol, XLogP of 5.23, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine is sourced from PubChem (CID 79058558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).