1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine

C21H44N2 — CID 160750261

IUPAC1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine
SMILESC=CCC(CCCCCCCCCCCCCN(C)C)N(C)C
InChIInChI=1S/C21H44N2/c1-6-18-21(23(4)5)19-16-14-12-10-8-7-9-11-13-15-17-20-22(2)3/h6,21H,1,7-20H2,2-5H3
InChIKeyZQJUFHMGNBILTJ-UHFFFAOYSA-N
MW324.60 g/mol
LogP5.74
Rot. Bonds17

About 1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine

1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine (PubChem CID 160750261) has the molecular formula C21H44N2 and a molecular weight of 324.60 g/mol. Its IUPAC name is 1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine.

Molecular Properties

Compound Name1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine
PubChem CID160750261
Molecular FormulaC21H44N2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC Name1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine
SMILESC=CCC(CCCCCCCCCCCCCN(C)C)N(C)C
InChIInChI=1S/C21H44N2/c1-6-18-21(23(4)5)19-16-14-12-10-8-7-9-11-13-15-17-20-22(2)3/h6,21H,1,7-20H2,2-5H3
InChIKeyZQJUFHMGNBILTJ-UHFFFAOYSA-N
XLogP5.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
CID 91061045
1-bromo-N,N-dimethylhex-5-en-3-amine
CID 88601694
3-N,3-N-dimethylhex-5-ene-1,3-diamine
CID 87074898
1-N,1-N,2-N,2-N-tetramethylpent-4-ene-1,2-diamine
CID 145347073
N,N,20-trimethylhenicosan-1-amine;hydrochloride
CID 173055097
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
N,N-dimethyloct-7-en-3-amine
CID 142842178
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
N,N-dimethyltetracontan-19-amine
CID 45382230
1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine
CID 87864817
N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene
CID 166644636

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine?
The IUPAC name of 1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine (CID 160750261) is 1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine.
What is the SMILES notation for 1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine?
The canonical SMILES for 1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine is C=CCC(CCCCCCCCCCCCCN(C)C)N(C)C.
What is the InChIKey of 1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine?
The InChIKey is ZQJUFHMGNBILTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2/c1-6-18-21(23(4)5)19-16-14-12-10-8-7-9-11-13-15-17-20-22(2)3/h6,21H,1,7-20H2,2-5H3.
What are the key properties of 1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine?
1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine has a molecular weight of 324.60 g/mol, XLogP of 5.74, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine is sourced from PubChem (CID 160750261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).