[1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol

C14H26N2O — CID 114196891

IUPAC[1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol
SMILESNC1(CO)CCC(N2CC3CCCC(C3)C2)C1
InChIInChI=1S/C14H26N2O/c15-14(10-17)5-4-13(7-14)16-8-11-2-1-3-12(6-11)9-16/h11-13,17H,1-10,15H2
InChIKeySAPHBMODTDZJPN-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.35
Rot. Bonds2

About [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol

[1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol (PubChem CID 114196891) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol
PubChem CID114196891
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol
SMILESNC1(CO)CCC(N2CC3CCCC(C3)C2)C1
InChIInChI=1S/C14H26N2O/c15-14(10-17)5-4-13(7-14)16-8-11-2-1-3-12(6-11)9-16/h11-13,17H,1-10,15H2
InChIKeySAPHBMODTDZJPN-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol?
The IUPAC name of [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol (CID 114196891) is [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol is NC1(CO)CCC(N2CC3CCCC(C3)C2)C1.
What is the InChIKey of [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol?
The InChIKey is SAPHBMODTDZJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c15-14(10-17)5-4-13(7-14)16-8-11-2-1-3-12(6-11)9-16/h11-13,17H,1-10,15H2.
What are the key properties of [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol?
[1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol has a molecular weight of 238.37 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol is sourced from PubChem (CID 114196891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).