N-[(4-ethylcyclohexyl)methyl]propan-2-amine

C12H25N — CID 60972109

IUPACN-[(4-ethylcyclohexyl)methyl]propan-2-amine
SMILESCCC1CCC(CNC(C)C)CC1
InChIInChI=1S/C12H25N/c1-4-11-5-7-12(8-6-11)9-13-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyJGRCLVQXRZUOMW-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds4

About N-[(4-ethylcyclohexyl)methyl]propan-2-amine

N-[(4-ethylcyclohexyl)methyl]propan-2-amine (PubChem CID 60972109) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]propan-2-amine
PubChem CID60972109
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-[(4-ethylcyclohexyl)methyl]propan-2-amine
SMILESCCC1CCC(CNC(C)C)CC1
InChIInChI=1S/C12H25N/c1-4-11-5-7-12(8-6-11)9-13-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyJGRCLVQXRZUOMW-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(propan-2-ylamino)methyl]cyclohexan-1-amine
CID 18722066
2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine
CID 103389347
N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine
CID 102869220
N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine
CID 63451824
N-[(4-ethylcyclohexyl)methyl]-2-(propan-2-ylamino)acetamide
CID 54880897
N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine
CID 145088274
N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 81029725
N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 54880970
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 63452140
N-[4-[(propan-2-ylamino)methyl]cyclohexyl]methanesulfonamide
CID 59868028
N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine)
CID 158956427
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]propan-2-amine (CID 60972109) is N-[(4-ethylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]propan-2-amine is CCC1CCC(CNC(C)C)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]propan-2-amine?
The InChIKey is JGRCLVQXRZUOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-11-5-7-12(8-6-11)9-13-10(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]propan-2-amine?
N-[(4-ethylcyclohexyl)methyl]propan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 60972109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).