1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine

C19H36N2 — CID 143356241

IUPAC1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine
SMILESC=CC(NC(=C)NC(CC)C(C)(C)C)C1(C)CCCCC1
InChIInChI=1S/C19H36N2/c1-8-16(18(4,5)6)20-15(3)21-17(9-2)19(7)13-11-10-12-14-19/h9,16-17,20-21H,2-3,8,10-14H2,1,4-7H3
InChIKeyHEDBFGSNQWXZON-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.99
Rot. Bonds7

About 1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine

1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine (PubChem CID 143356241) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine
PubChem CID143356241
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine
SMILESC=CC(NC(=C)NC(CC)C(C)(C)C)C1(C)CCCCC1
InChIInChI=1S/C19H36N2/c1-8-16(18(4,5)6)20-15(3)21-17(9-2)19(7)13-11-10-12-14-19/h9,16-17,20-21H,2-3,8,10-14H2,1,4-7H3
InChIKeyHEDBFGSNQWXZON-UHFFFAOYSA-N
XLogP4.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine
CID 134171508
1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine
CID 134482330
1-N'-[(4S)-2,4-dimethylheptan-4-yl]-1-N-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;(4S)-3-ethyl-2,5-dimethyl-4-propan-2-ylhept-1-ene
CID 143352288
(5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane
CID 143355946
1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane
CID 143357239
1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane
CID 143358262
1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene
CID 143358977
5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine
CID 152634778
(E)-3-cyclohexyl-1-N'-ethenyl-1-N'-methyl-1-N-(2-methylpropyl)prop-1-ene-1,1,3-triamine
CID 155480052
5-N-[1-[[(Z,7S)-2,2-dimethyl-4,8-dimethylidenehexadec-13-en-7-yl]amino]ethenyl]-8,8-dimethyl-6-methylidenenonane-1,5-diamine;ethane
CID 176994715
N-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine
CID 106830276
N-ethyl-1-(1-methylcyclohexyl)oct-7-en-1-amine
CID 107011688

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine?
The IUPAC name of 1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine (CID 143356241) is 1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine?
The canonical SMILES for 1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine is C=CC(NC(=C)NC(CC)C(C)(C)C)C1(C)CCCCC1.
What is the InChIKey of 1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine?
The InChIKey is HEDBFGSNQWXZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-8-16(18(4,5)6)20-15(3)21-17(9-2)19(7)13-11-10-12-14-19/h9,16-17,20-21H,2-3,8,10-14H2,1,4-7H3.
What are the key properties of 1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine?
1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine has a molecular weight of 292.51 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylpentan-3-yl)-1-N'-[1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine is sourced from PubChem (CID 143356241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).