(1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine

C12H24N2 — CID 139362761

IUPAC(1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine
SMILESCCCC(C)(CC)N1C[C@@H]2C[C@]2(N)C1
InChIInChI=1S/C12H24N2/c1-4-6-11(3,5-2)14-8-10-7-12(10,13)9-14/h10H,4-9,13H2,1-3H3/t10-,11?,12-/m0/s1
InChIKeyKWJSBOVFJSBRSH-PRWSFJOGSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds4

About (1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine

(1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine (PubChem CID 139362761) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine.

Molecular Properties

Compound Name(1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine
PubChem CID139362761
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine
SMILESCCCC(C)(CC)N1C[C@@H]2C[C@]2(N)C1
InChIInChI=1S/C12H24N2/c1-4-6-11(3,5-2)14-8-10-7-12(10,13)9-14/h10H,4-9,13H2,1-3H3/t10-,11?,12-/m0/s1
InChIKeyKWJSBOVFJSBRSH-PRWSFJOGSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine?
The IUPAC name of (1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine (CID 139362761) is (1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine.
What is the SMILES notation for (1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine?
The canonical SMILES for (1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine is CCCC(C)(CC)N1C[C@@H]2C[C@]2(N)C1.
What is the InChIKey of (1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine?
The InChIKey is KWJSBOVFJSBRSH-PRWSFJOGSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-6-11(3,5-2)14-8-10-7-12(10,13)9-14/h10H,4-9,13H2,1-3H3/t10-,11?,12-/m0/s1.
What are the key properties of (1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine?
(1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine is sourced from PubChem (CID 139362761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).