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

C9H19NO — CID 58787020

IUPAC3-[(propan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(C)NCC1CCC(O)C1
InChIInChI=1S/C9H19NO/c1-7(2)10-6-8-3-4-9(11)5-8/h7-11H,3-6H2,1-2H3
InChIKeyUBPAHSGSVIJTDL-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds3

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

3-[(propan-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 58787020) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[(propan-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(propan-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID58787020
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[(propan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(C)NCC1CCC(O)C1
InChIInChI=1S/C9H19NO/c1-7(2)10-6-8-3-4-9(11)5-8/h7-11H,3-6H2,1-2H3
InChIKeyUBPAHSGSVIJTDL-UHFFFAOYSA-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 3-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(propan-2-ylamino)methyl]cyclopentan-1-ol (CID 58787020) is 3-[(propan-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(propan-2-ylamino)methyl]cyclopentan-1-ol is CC(C)NCC1CCC(O)C1.
What is the InChIKey of 3-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is UBPAHSGSVIJTDL-UHFFFAOYSA-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.
What are the key properties of 3-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
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 3-[(propan-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 58787020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).