2-[[bis(prop-2-enyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine

C15H28N2 — CID 62614346

IUPAC2-[[bis(prop-2-enyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESC=CCN(CC=C)CC1CC(C)CCC1NC
InChIInChI=1S/C15H28N2/c1-5-9-17(10-6-2)12-14-11-13(3)7-8-15(14)16-4/h5-6,13-16H,1-2,7-12H2,3-4H3
InChIKeyLWFGCQLONVRHPS-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.68
Rot. Bonds7

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

2-[[bis(prop-2-enyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 62614346) 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]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID62614346
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESC=CCN(CC=C)CC1CC(C)CCC1NC
InChIInChI=1S/C15H28N2/c1-5-9-17(10-6-2)12-14-11-13(3)7-8-15(14)16-4/h5-6,13-16H,1-2,7-12H2,3-4H3
InChIKeyLWFGCQLONVRHPS-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 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 ≤ 52.68
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-methyl-N-(prop-2-en-1-yl)cyclohexan-1-amine
CID 4711826
(1R,2S)-N-allyl-(2-methylcyclohexyl)amine
CID 11701071
4-methyl-N-prop-2-enylcyclohexan-1-amine
CID 19871405
trans-{4-[3-(Allyl-methyl-amino)-prop-1-ynyl]-cyclohexyl}-methyl-amine
CID 22567860
N1,N1-diallyl-1-methylcyclohexane-1,4-diamine
CID 58314575
4,4-dimethyl-N-prop-2-enylcyclohexan-1-amine
CID 64418633
2,2,5,6-tetramethyl-N-prop-2-enylpiperidin-4-amine
CID 67632327
3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine
CID 69409218
4-ethenyl-N,2-dimethylcyclohexan-1-amine
CID 88999665
N-but-3-en-2-yl-4-methylcyclohexan-1-amine
CID 107908252
N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine
CID 118013747
N-[(3-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 118017179

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine (CID 62614346) is 2-[[bis(prop-2-enyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine is C=CCN(CC=C)CC1CC(C)CCC1NC.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is LWFGCQLONVRHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-5-9-17(10-6-2)12-14-11-13(3)7-8-15(14)16-4/h5-6,13-16H,1-2,7-12H2,3-4H3.
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
2-[[bis(prop-2-enyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.68, 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]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 62614346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).