2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine

C15H28N2 — CID 55093744

IUPAC2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine
SMILESC=CCN(CC=C)CC1CC(CC)CCC1N
InChIInChI=1S/C15H28N2/c1-4-9-17(10-5-2)12-14-11-13(6-3)7-8-15(14)16/h4-5,13-15H,1-2,6-12,16H2,3H3
InChIKeyGTAJNRDITHWVLH-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.81
Rot. Bonds7

About 2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine

2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine (PubChem CID 55093744) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine
PubChem CID55093744
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine
SMILESC=CCN(CC=C)CC1CC(CC)CCC1N
InChIInChI=1S/C15H28N2/c1-4-9-17(10-5-2)12-14-11-13(6-3)7-8-15(14)16/h4-5,13-15H,1-2,6-12,16H2,3H3
InChIKeyGTAJNRDITHWVLH-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.81
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-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine
CID 107401528
4-ethyl-2-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine
CID 62616277
2-[(2-amino-5-ethylcyclohexyl)methyl-(2-methoxyethyl)amino]ethanol
CID 113468089
2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol
CID 62610999
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine
CID 62609264
2-N,4-diethyl-2-N-methylcyclohexane-1,2-diamine
CID 43263387
N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline
CID 62609281
2-[(2-amino-5-propylcyclohexyl)methyl-propylamino]ethanol
CID 62610160
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine
CID 62609457
2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 62614520
4-ethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 104564608
2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine
CID 63955967

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine (CID 55093744) is 2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine is C=CCN(CC=C)CC1CC(CC)CCC1N.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is GTAJNRDITHWVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-9-17(10-5-2)12-14-11-13(6-3)7-8-15(14)16/h4-5,13-15H,1-2,6-12,16H2,3H3.
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine?
2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.81, 7 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]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 55093744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).