2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine

C16H30N2 — CID 62614520

IUPAC2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESC=CCN(CC=C)CC1CC(C)CCC1NCC
InChIInChI=1S/C16H30N2/c1-5-10-18(11-6-2)13-15-12-14(4)8-9-16(15)17-7-3/h5-6,14-17H,1-2,7-13H2,3-4H3
InChIKeyZEPOLCCLSCUJHC-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.07
Rot. Bonds8

About 2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine

2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 62614520) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID62614520
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESC=CCN(CC=C)CC1CC(C)CCC1NCC
InChIInChI=1S/C16H30N2/c1-5-10-18(11-6-2)13-15-12-14(4)8-9-16(15)17-7-3/h5-6,14-17H,1-2,7-13H2,3-4H3
InChIKeyZEPOLCCLSCUJHC-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.07
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-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol
CID 107486480
2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 107401526
2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64737206
2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol
CID 55094802
2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 63495552
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine
CID 63483579
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62610658
N-ethyl-2-[[ethyl(propyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63483436
N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62609438
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63494221
N-ethyl-4-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 62549830

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine (CID 62614520) is 2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine is C=CCN(CC=C)CC1CC(C)CCC1NCC.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is ZEPOLCCLSCUJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-5-10-18(11-6-2)13-15-12-14(4)8-9-16(15)17-7-3/h5-6,14-17H,1-2,7-13H2,3-4H3.
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine?
2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.07, 8 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]-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62614520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).