2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine

C18H34N2 — CID 64737206

IUPAC2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESC=CCN(CC=C)CC1C(C)CC(C)CC1NCCC
InChIInChI=1S/C18H34N2/c1-6-9-19-18-13-15(4)12-16(5)17(18)14-20(10-7-2)11-8-3/h7-8,15-19H,2-3,6,9-14H2,1,4-5H3
InChIKeyFRRWZLUUNCHIOL-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.71
Rot. Bonds9

About 2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine

2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64737206) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64737206
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESC=CCN(CC=C)CC1C(C)CC(C)CC1NCCC
InChIInChI=1S/C18H34N2/c1-6-9-19-18-13-15(4)12-16(5)17(18)14-20(10-7-2)11-8-3/h7-8,15-19H,2-3,6,9-14H2,1,4-5H3
InChIKeyFRRWZLUUNCHIOL-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclopropylmethyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736455
2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64735419
2-[[ethyl(methyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736412
2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 64735248
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736014
2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736211
2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 62614520
2-[ethyl-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]amino]ethanol
CID 64735434
N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine
CID 64735427
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115561997
2-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 64736620
N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 64734674

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 64737206) is 2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine is C=CCN(CC=C)CC1C(C)CC(C)CC1NCCC.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is FRRWZLUUNCHIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-6-9-19-18-13-15(4)12-16(5)17(18)14-20(10-7-2)11-8-3/h7-8,15-19H,2-3,6,9-14H2,1,4-5H3.
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64737206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).