(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine

C8H15N — CID 131148084

IUPAC(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
SMILESC[C@]1(N)C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C8H15N/c1-8(9)5-6-2-3-7(8)4-6/h6-7H,2-5,9H2,1H3/t6-,7+,8+/m1/s1
InChIKeyIYVFVRRYHCTISQ-CSMHCCOUSA-N
MW125.22 g/mol
LogP1.52
Rot. Bonds

About (1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine

(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine (PubChem CID 131148084) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
PubChem CID131148084
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
SMILESC[C@]1(N)C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C8H15N/c1-8(9)5-6-2-3-7(8)4-6/h6-7H,2-5,9H2,1H3/t6-,7+,8+/m1/s1
InChIKeyIYVFVRRYHCTISQ-CSMHCCOUSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 178190368
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
(2R)-2-methylbicyclo[3.1.1]heptan-2-amine
CID 55290522
(2S)-2-(aminomethyl)bicyclo[2.2.1]heptan-2-amine;platinum(2+);dichloride
CID 11742035
ethyl 2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate
CID 14958327
2-methyl-2-propylbicyclo[2.2.1]heptane
CID 20587119
1-[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 131122993
(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 98050178
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 54205638
2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 65019888
6',6'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane]
CID 20680012
(2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889497

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine (CID 131148084) is (1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine is C[C@]1(N)C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is IYVFVRRYHCTISQ-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H15N/c1-8(9)5-6-2-3-7(8)4-6/h6-7H,2-5,9H2,1H3/t6-,7+,8+/m1/s1.
What are the key properties of (1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine?
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 125.22 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 131148084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).