3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol

C9H18N2O — CID 105434591

IUPAC3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol
SMILESNC1CCC(O)(CNC2CC2)C1
InChIInChI=1S/C9H18N2O/c10-7-3-4-9(12,5-7)6-11-8-1-2-8/h7-8,11-12H,1-6,10H2
InChIKeyHTCJLUXWHWYFIT-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.02
Rot. Bonds3

About 3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol

3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol (PubChem CID 105434591) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol
PubChem CID105434591
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol
SMILESNC1CCC(O)(CNC2CC2)C1
InChIInChI=1S/C9H18N2O/c10-7-3-4-9(12,5-7)6-11-8-1-2-8/h7-8,11-12H,1-6,10H2
InChIKeyHTCJLUXWHWYFIT-UHFFFAOYSA-N
XLogP-0.02
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol (CID 105434591) is 3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol is NC1CCC(O)(CNC2CC2)C1.
What is the InChIKey of 3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol?
The InChIKey is HTCJLUXWHWYFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-7-3-4-9(12,5-7)6-11-8-1-2-8/h7-8,11-12H,1-6,10H2.
What are the key properties of 3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol?
3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol has a molecular weight of 170.26 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(cyclopropylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 105434591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).