3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol

C15H30N2O — CID 106120879

IUPAC3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCCCN1CCCC(NCC2CCC(O)C2)CC1
InChIInChI=1S/C15H30N2O/c1-2-8-17-9-3-4-14(7-10-17)16-12-13-5-6-15(18)11-13/h13-16,18H,2-12H2,1H3
InChIKeyDHBWQTOGCRXSAI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds5

About 3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol

3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 106120879) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID106120879
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCCCN1CCCC(NCC2CCC(O)C2)CC1
InChIInChI=1S/C15H30N2O/c1-2-8-17-9-3-4-14(7-10-17)16-12-13-5-6-15(18)11-13/h13-16,18H,2-12H2,1H3
InChIKeyDHBWQTOGCRXSAI-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 103271380
N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine
CID 65073738
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine
CID 65073267
3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol
CID 114146190
3-[(1-propylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 43751171
N-methyl-1-propylazepan-4-amine
CID 65072873
3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372
3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 103785802
3-[[(1-propan-2-ylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 106124034
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol
CID 65078153
4-[[(1-methylpiperidin-3-yl)amino]methyl]cyclohexan-1-ol
CID 106126243

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol (CID 106120879) is 3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol is CCCN1CCCC(NCC2CCC(O)C2)CC1.
What is the InChIKey of 3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is DHBWQTOGCRXSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-8-17-9-3-4-14(7-10-17)16-12-13-5-6-15(18)11-13/h13-16,18H,2-12H2,1H3.
What are the key properties of 3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol?
3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106120879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).