1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine

C16H31N — CID 70927505

IUPAC1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine
SMILESCCC(C)CC(N)(CC1CCC1)CC1CCC1
InChIInChI=1S/C16H31N/c1-3-13(2)10-16(17,11-14-6-4-7-14)12-15-8-5-9-15/h13-15H,3-12,17H2,1-2H3
InChIKeyASNYTXINNITXFC-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.50
Rot. Bonds7

About 1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine

1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine (PubChem CID 70927505) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine
PubChem CID70927505
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine
SMILESCCC(C)CC(N)(CC1CCC1)CC1CCC1
InChIInChI=1S/C16H31N/c1-3-13(2)10-16(17,11-14-6-4-7-14)12-15-8-5-9-15/h13-15H,3-12,17H2,1-2H3
InChIKeyASNYTXINNITXFC-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine?
The IUPAC name of 1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine (CID 70927505) is 1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine.
What is the SMILES notation for 1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine?
The canonical SMILES for 1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine is CCC(C)CC(N)(CC1CCC1)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine?
The InChIKey is ASNYTXINNITXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-3-13(2)10-16(17,11-14-6-4-7-14)12-15-8-5-9-15/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine?
1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine has a molecular weight of 237.43 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine is sourced from PubChem (CID 70927505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).