(1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine

C10H19N — CID 130846669

IUPAC(1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine
SMILESCC(C)[C@]12C[C@@H](N)[C@H](C)[C@H]1C2
InChIInChI=1S/C10H19N/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9H,4-5,11H2,1-3H3/t7-,8-,9-,10+/m1/s1
InChIKeyCDYRVMMLBSIQHS-KYXWUPHJSA-N
MW153.27 g/mol
LogP2.02
Rot. Bonds1

About (1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine

(1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine (PubChem CID 130846669) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine.

Molecular Properties

Compound Name(1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine
PubChem CID130846669
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine
SMILESCC(C)[C@]12C[C@@H](N)[C@H](C)[C@H]1C2
InChIInChI=1S/C10H19N/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9H,4-5,11H2,1-3H3/t7-,8-,9-,10+/m1/s1
InChIKeyCDYRVMMLBSIQHS-KYXWUPHJSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine?
The IUPAC name of (1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine (CID 130846669) is (1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine.
What is the SMILES notation for (1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine?
The canonical SMILES for (1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine is CC(C)[C@]12C[C@@H](N)[C@H](C)[C@H]1C2.
What is the InChIKey of (1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine?
The InChIKey is CDYRVMMLBSIQHS-KYXWUPHJSA-N. The full InChI is InChI=1S/C10H19N/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9H,4-5,11H2,1-3H3/t7-,8-,9-,10+/m1/s1.
What are the key properties of (1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine?
(1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine has a molecular weight of 153.27 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine is sourced from PubChem (CID 130846669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).