(1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol

C7H15NO — CID 95757404

IUPAC(1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol
SMILESC[C@@H]1CC[C@H](O)[C@@H]1CN
InChIInChI=1S/C7H15NO/c1-5-2-3-7(9)6(5)4-8/h5-7,9H,2-4,8H2,1H3/t5-,6-,7+/m1/s1
InChIKeyBNCAAOHCBFZJEN-QYNIQEEDSA-N
MW129.20 g/mol
LogP0.35
Rot. Bonds1

About (1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol

(1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol (PubChem CID 95757404) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol
PubChem CID95757404
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol
SMILESC[C@@H]1CC[C@H](O)[C@@H]1CN
InChIInChI=1S/C7H15NO/c1-5-2-3-7(9)6(5)4-8/h5-7,9H,2-4,8H2,1H3/t5-,6-,7+/m1/s1
InChIKeyBNCAAOHCBFZJEN-QYNIQEEDSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol
CID 162070129
(2,7-dimethylcycloheptyl)methanamine
CID 83905212
(1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid
CID 95757429
cis-(1R,2S)-3-methylcyclopentane-1,2-diol
CID 66664692
(1S,2R,3S)-3-methylcyclopentane-1,2-diol
CID 11863599
2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
CID 140524939
(1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol
CID 11644249
3-methyl-2-prop-2-enylcyclohexan-1-ol
CID 71440529
2,3-difluoro-4-methylcyclohexan-1-ol
CID 89103699
2,3,5-trimethylcycloheptane-1,4-diol
CID 123379780
[(1S)-2,3-dimethylcyclopentyl]methanamine
CID 129279891
trans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol
CID 68746614

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol?
The IUPAC name of (1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol (CID 95757404) is (1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol.
What is the SMILES notation for (1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol?
The canonical SMILES for (1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol is C[C@@H]1CC[C@H](O)[C@@H]1CN.
What is the InChIKey of (1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol?
The InChIKey is BNCAAOHCBFZJEN-QYNIQEEDSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-2-3-7(9)6(5)4-8/h5-7,9H,2-4,8H2,1H3/t5-,6-,7+/m1/s1.
What are the key properties of (1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol?
(1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol is sourced from PubChem (CID 95757404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).