N-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine

C15H31N — CID 63477972

IUPACN-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine
SMILESCCCCC(C)NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C15H31N/c1-6-7-8-13(3)16-14-9-12(2)10-15(4,5)11-14/h12-14,16H,6-11H2,1-5H3
InChIKeyVAUCWOMNXVLVAA-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds5

About N-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine

N-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 63477972) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine
PubChem CID63477972
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine
SMILESCCCCC(C)NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C15H31N/c1-6-7-8-13(3)16-14-9-12(2)10-15(4,5)11-14/h12-14,16H,6-11H2,1-5H3
InChIKeyVAUCWOMNXVLVAA-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of N-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine (CID 63477972) is N-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine is CCCCC(C)NC1CC(C)CC(C)(C)C1.
What is the InChIKey of N-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is VAUCWOMNXVLVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-7-8-13(3)16-14-9-12(2)10-15(4,5)11-14/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine?
N-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 63477972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).