N-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine

C14H27N — CID 115920040

IUPACN-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)(NC(C)CC2CC2)CC1
InChIInChI=1S/C14H27N/c1-11-6-8-14(3,9-7-11)15-12(2)10-13-4-5-13/h11-13,15H,4-10H2,1-3H3
InChIKeyVBUCNGNMTXPCME-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.73
Rot. Bonds4

About N-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine

N-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine (PubChem CID 115920040) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine
PubChem CID115920040
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)(NC(C)CC2CC2)CC1
InChIInChI=1S/C14H27N/c1-11-6-8-14(3,9-7-11)15-12(2)10-13-4-5-13/h11-13,15H,4-10H2,1-3H3
InChIKeyVBUCNGNMTXPCME-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol
CID 115975917
1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 113489875
1-[(1-cyclopropylpropan-2-ylcarbamoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443063
N-(1-cyclopropylpropan-2-yl)-2,2-dimethylcyclopentan-1-amine
CID 79857434
(1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400818
4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine
CID 115921836
(2S)-1-(4-methylcyclohexyl)propan-2-amine
CID 163792436
1,4-dimethyl-N-propylcyclohexan-1-amine
CID 130638305
1-[2-cyclopropyl-1-(ethylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074963
1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 115920049
1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine
CID 115892752
1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
CID 115630442

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine (CID 115920040) is N-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine is CC1CCC(C)(NC(C)CC2CC2)CC1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine?
The InChIKey is VBUCNGNMTXPCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-11-6-8-14(3,9-7-11)15-12(2)10-13-4-5-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine?
N-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-1,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 115920040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).