5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine

C19H38N2 — CID 152634778

IUPAC5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine
SMILESC=CC(C=C)(CCCC)CCCC(NC(C)C)NC(C)C
InChIInChI=1S/C19H38N2/c1-8-11-14-19(9-2,10-3)15-12-13-18(20-16(4)5)21-17(6)7/h9-10,16-18,20-21H,2-3,8,11-15H2,1,4-7H3
InChIKeyZEHNMWUQGTXOKL-UHFFFAOYSA-N
MW294.53 g/mol
LogP5.03
Rot. Bonds13

About 5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine

5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine (PubChem CID 152634778) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine.

Molecular Properties

Compound Name5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine
PubChem CID152634778
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine
SMILESC=CC(C=C)(CCCC)CCCC(NC(C)C)NC(C)C
InChIInChI=1S/C19H38N2/c1-8-11-14-19(9-2,10-3)15-12-13-18(20-16(4)5)21-17(6)7/h9-10,16-18,20-21H,2-3,8,11-15H2,1,4-7H3
InChIKeyZEHNMWUQGTXOKL-UHFFFAOYSA-N
XLogP5.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine
CID 91073753
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CID 124034470
N'-pentan-3-yl-1-(1-prop-2-enylcyclobutyl)methanediamine
CID 129030625
3,3,4,4-tetramethyl-2-N'-tetradecylhept-6-ene-2,2-diamine;dihydrochloride
CID 132008353
1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine
CID 134171508
3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine
CID 134365887
1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine
CID 134482330
1-N-ethyl-2-methyl-1-N'-[(2R)-4-methylheptan-2-yl]but-3-ene-1,1-diamine
CID 137384940
1-N,1-N',1-N"-tributyl-2-ethenyldecane-1,1,1-triamine
CID 157753815
4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine
CID 166059863
N-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine
CID 166059865
N-(3,3-dimethylbutan-2-yl)tridec-12-en-1-amine
CID 166807990

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine?
The IUPAC name of 5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine (CID 152634778) is 5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine.
What is the SMILES notation for 5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine?
The canonical SMILES for 5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine is C=CC(C=C)(CCCC)CCCC(NC(C)C)NC(C)C.
What is the InChIKey of 5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine?
The InChIKey is ZEHNMWUQGTXOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-8-11-14-19(9-2,10-3)15-12-13-18(20-16(4)5)21-17(6)7/h9-10,16-18,20-21H,2-3,8,11-15H2,1,4-7H3.
What are the key properties of 5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine?
5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine has a molecular weight of 294.53 g/mol, XLogP of 5.03, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine is sourced from PubChem (CID 152634778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).