(4S)-7-cyclopropyl-2-methyloctan-4-amine

C12H25N — CID 158877402

IUPAC(4S)-7-cyclopropyl-2-methyloctan-4-amine
SMILESCC(C)C[C@@H](N)CCC(C)C1CC1
InChIInChI=1S/C12H25N/c1-9(2)8-12(13)7-4-10(3)11-5-6-11/h9-12H,4-8,13H2,1-3H3/t10?,12-/m0/s1
InChIKeyLXFXNACECMJKJG-KFJBMODSSA-N
MW183.34 g/mol
LogP3.19
Rot. Bonds6

About (4S)-7-cyclopropyl-2-methyloctan-4-amine

(4S)-7-cyclopropyl-2-methyloctan-4-amine (PubChem CID 158877402) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (4S)-7-cyclopropyl-2-methyloctan-4-amine.

Molecular Properties

Compound Name(4S)-7-cyclopropyl-2-methyloctan-4-amine
PubChem CID158877402
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(4S)-7-cyclopropyl-2-methyloctan-4-amine
SMILESCC(C)C[C@@H](N)CCC(C)C1CC1
InChIInChI=1S/C12H25N/c1-9(2)8-12(13)7-4-10(3)11-5-6-11/h9-12H,4-8,13H2,1-3H3/t10?,12-/m0/s1
InChIKeyLXFXNACECMJKJG-KFJBMODSSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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 (4S)-7-cyclopropyl-2-methyloctan-4-amine?
The IUPAC name of (4S)-7-cyclopropyl-2-methyloctan-4-amine (CID 158877402) is (4S)-7-cyclopropyl-2-methyloctan-4-amine.
What is the SMILES notation for (4S)-7-cyclopropyl-2-methyloctan-4-amine?
The canonical SMILES for (4S)-7-cyclopropyl-2-methyloctan-4-amine is CC(C)C[C@@H](N)CCC(C)C1CC1.
What is the InChIKey of (4S)-7-cyclopropyl-2-methyloctan-4-amine?
The InChIKey is LXFXNACECMJKJG-KFJBMODSSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)8-12(13)7-4-10(3)11-5-6-11/h9-12H,4-8,13H2,1-3H3/t10?,12-/m0/s1.
What are the key properties of (4S)-7-cyclopropyl-2-methyloctan-4-amine?
(4S)-7-cyclopropyl-2-methyloctan-4-amine has a molecular weight of 183.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-cyclopropyl-2-methyloctan-4-amine is sourced from PubChem (CID 158877402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).