N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine

C22H40N2 — CID 163107415

IUPACN'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine
SMILESC=CCCC=CC#CCCCCCCCCCN(C)CCN(C)C
InChIInChI=1S/C22H40N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(4)22-21-23(2)3/h5,8-9H,1,6-7,12-22H2,2-4H3
InChIKeyBEAAYBKNZRZIKT-UHFFFAOYSA-N
MW332.58 g/mol
LogP5.13
Rot. Bonds15

About N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine

N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 163107415) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine
PubChem CID163107415
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC NameN'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine
SMILESC=CCCC=CC#CCCCCCCCCCN(C)CCN(C)C
InChIInChI=1S/C22H40N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(4)22-21-23(2)3/h5,8-9H,1,6-7,12-22H2,2-4H3
InChIKeyBEAAYBKNZRZIKT-UHFFFAOYSA-N
XLogP5.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 55.13
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine with MolForge

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Related Compounds

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CID 11116726
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CID 171119784
carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine
CID 161382891
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
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N,N'-dimethyl-N'-(14-methylhexadec-12-en-10-ynyl)ethane-1,2-diamine
CID 163104976
(Z)-heptadec-3-en-5-yne
CID 5367448
buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine
CID 160608362
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
(7E)-nona-1,7-dien-5-yne
CID 15529252
N-methyl-N-propylpent-4-en-1-amine
CID 91551262
N-methyl-N-oct-7-ynyloct-7-yn-1-amine
CID 170134765
3-hexadeca-11,15-dien-7,9-diynyl-4-hydroxy-5-methyloxolan-2-one
CID 85382743

Frequently Asked Questions

What is the IUPAC name of N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine (CID 163107415) is N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine is C=CCCC=CC#CCCCCCCCCCN(C)CCN(C)C.
What is the InChIKey of N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is BEAAYBKNZRZIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(4)22-21-23(2)3/h5,8-9H,1,6-7,12-22H2,2-4H3.
What are the key properties of N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine?
N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 332.58 g/mol, XLogP of 5.13, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 163107415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).