cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol

C6H13NO — CID 42614397

IUPACcis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol
SMILESNC[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C6H13NO/c7-4-5-1-2-6(8)3-5/h5-6,8H,1-4,7H2/t5-,6+/m0/s1
InChIKeyNUBNZASXRSXFRW-NTSWFWBYSA-N
MW115.18 g/mol
LogP0.11
Rot. Bonds1

About cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol

cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol (PubChem CID 42614397) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol
PubChem CID42614397
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Namecis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol
SMILESNC[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C6H13NO/c7-4-5-1-2-6(8)3-5/h5-6,8H,1-4,7H2/t5-,6+/m0/s1
InChIKeyNUBNZASXRSXFRW-NTSWFWBYSA-N
XLogP0.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol?
The IUPAC name of cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol (CID 42614397) is cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol is NC[C@H]1CC[C@@H](O)C1.
What is the InChIKey of cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol?
The InChIKey is NUBNZASXRSXFRW-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13NO/c7-4-5-1-2-6(8)3-5/h5-6,8H,1-4,7H2/t5-,6+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol?
cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol is sourced from PubChem (CID 42614397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).