N-hex-1-en-2-yl-4-methylcyclohexan-1-amine

C13H25N — CID 67593365

IUPACN-hex-1-en-2-yl-4-methylcyclohexan-1-amine
SMILESC=C(CCCC)NC1CCC(C)CC1
InChIInChI=1S/C13H25N/c1-4-5-6-12(3)14-13-9-7-11(2)8-10-13/h11,13-14H,3-10H2,1-2H3
InChIKeyNPICTMOBQHQFHK-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.86
Rot. Bonds5

About N-hex-1-en-2-yl-4-methylcyclohexan-1-amine

N-hex-1-en-2-yl-4-methylcyclohexan-1-amine (PubChem CID 67593365) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-hex-1-en-2-yl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-hex-1-en-2-yl-4-methylcyclohexan-1-amine
PubChem CID67593365
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-hex-1-en-2-yl-4-methylcyclohexan-1-amine
SMILESC=C(CCCC)NC1CCC(C)CC1
InChIInChI=1S/C13H25N/c1-4-5-6-12(3)14-13-9-7-11(2)8-10-13/h11,13-14H,3-10H2,1-2H3
InChIKeyNPICTMOBQHQFHK-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-hex-1-en-2-yl-4-methylcyclohexan-1-amine?
The IUPAC name of N-hex-1-en-2-yl-4-methylcyclohexan-1-amine (CID 67593365) is N-hex-1-en-2-yl-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-hex-1-en-2-yl-4-methylcyclohexan-1-amine?
The canonical SMILES for N-hex-1-en-2-yl-4-methylcyclohexan-1-amine is C=C(CCCC)NC1CCC(C)CC1.
What is the InChIKey of N-hex-1-en-2-yl-4-methylcyclohexan-1-amine?
The InChIKey is NPICTMOBQHQFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-5-6-12(3)14-13-9-7-11(2)8-10-13/h11,13-14H,3-10H2,1-2H3.
What are the key properties of N-hex-1-en-2-yl-4-methylcyclohexan-1-amine?
N-hex-1-en-2-yl-4-methylcyclohexan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-en-2-yl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 67593365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).