trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol

C6H13NO — CID 42614402

IUPACtrans-(1S,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-WDSKDSINSA-N
MW115.18 g/mol
LogP0.11
Rot. Bonds1

About trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol

trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol (PubChem CID 42614402) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol
PubChem CID42614402
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Nametrans-(1S,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-WDSKDSINSA-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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Related Compounds

2-(Aminomethyl)cyclopentan-1-ol
CID 533887
2-Amino-1-cyclopentylethanol
CID 20072198
(1S,2R)-2-(aminomethyl)cyclopentan-1-ol
CID 13133896
3-(Aminomethyl)cyclopentan-1-ol
CID 14130438
3-(2-Aminoethyl)cyclopentan-1-ol
CID 53441115
(1S,2R)-2-(aminomethyl)cyclopentan-1-ol hydrochloride
CID 121552922
(1R,2S)-2-(aminomethyl)cyclopentan-1-ol hydrochloride
CID 121552968
(1S,2S)-2-(aminomethyl)cyclopentan-1-ol hydrochloride
CID 134691166
(1R,2R)-2-(aminomethyl)cyclopentan-1-ol hydrochloride
CID 137944537
(1S,2S)-2-(aminomethyl)cyclopentan-1-ol
CID 2725083
(1R,2R)-2-(aminomethyl)cyclopentan-1-ol
CID 13133895
(1R,2S)-2-(aminomethyl)cyclopentan-1-ol
CID 13133897

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol (CID 42614402) is trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol is NC[C@H]1CC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol?
The InChIKey is NUBNZASXRSXFRW-WDSKDSINSA-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 trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol?
trans-(1S,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 trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol is sourced from PubChem (CID 42614402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).