(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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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).