N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine

C12H23N — CID 58450015

IUPACN-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine
SMILESC=C(NC(C)C)C1CCC(C)CC1
InChIInChI=1S/C12H23N/c1-9(2)13-11(4)12-7-5-10(3)6-8-12/h9-10,12-13H,4-8H2,1-3H3
InChIKeyDXMXZHFYIFSFJY-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.32
Rot. Bonds3

About N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine

N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine (PubChem CID 58450015) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine
PubChem CID58450015
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine
SMILESC=C(NC(C)C)C1CCC(C)CC1
InChIInChI=1S/C12H23N/c1-9(2)13-11(4)12-7-5-10(3)6-8-12/h9-10,12-13H,4-8H2,1-3H3
InChIKeyDXMXZHFYIFSFJY-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine?
The IUPAC name of N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine (CID 58450015) is N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine.
What is the SMILES notation for N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine?
The canonical SMILES for N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine is C=C(NC(C)C)C1CCC(C)CC1.
What is the InChIKey of N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine?
The InChIKey is DXMXZHFYIFSFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)13-11(4)12-7-5-10(3)6-8-12/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine?
N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine is sourced from PubChem (CID 58450015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).