(4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine

C12H25N — CID 89058597

IUPAC(4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine
SMILESCC(N)C[C@@H](CC1CCC1)C(C)C
InChIInChI=1S/C12H25N/c1-9(2)12(7-10(3)13)8-11-5-4-6-11/h9-12H,4-8,13H2,1-3H3/t10?,12-/m0/s1
InChIKeyLOPMTPVJBQNYJB-KFJBMODSSA-N
MW183.34 g/mol
LogP3.19
Rot. Bonds5

About (4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine

(4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine (PubChem CID 89058597) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine.

Molecular Properties

Compound Name(4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine
PubChem CID89058597
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine
SMILESCC(N)C[C@@H](CC1CCC1)C(C)C
InChIInChI=1S/C12H25N/c1-9(2)12(7-10(3)13)8-11-5-4-6-11/h9-12H,4-8,13H2,1-3H3/t10?,12-/m0/s1
InChIKeyLOPMTPVJBQNYJB-KFJBMODSSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine?
The IUPAC name of (4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine (CID 89058597) is (4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine.
What is the SMILES notation for (4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine?
The canonical SMILES for (4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine is CC(N)C[C@@H](CC1CCC1)C(C)C.
What is the InChIKey of (4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine?
The InChIKey is LOPMTPVJBQNYJB-KFJBMODSSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)12(7-10(3)13)8-11-5-4-6-11/h9-12H,4-8,13H2,1-3H3/t10?,12-/m0/s1.
What are the key properties of (4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine?
(4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine is sourced from PubChem (CID 89058597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).