trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol

C9H19NO — CID 58671596

IUPACtrans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(C)NC[C@H]1CC[C@H](O)C1
InChIInChI=1S/C9H19NO/c1-7(2)10-6-8-3-4-9(11)5-8/h7-11H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyUBPAHSGSVIJTDL-IUCAKERBSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds3

About trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol

trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 58671596) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID58671596
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nametrans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(C)NC[C@H]1CC[C@H](O)C1
InChIInChI=1S/C9H19NO/c1-7(2)10-6-8-3-4-9(11)5-8/h7-11H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyUBPAHSGSVIJTDL-IUCAKERBSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol (CID 58671596) is trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol is CC(C)NC[C@H]1CC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is UBPAHSGSVIJTDL-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)10-6-8-3-4-9(11)5-8/h7-11H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 58671596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).