[4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol

C17H28N2O — CID 65077679

IUPAC[4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol
SMILESCC(C)N1CCCC(CO)(NCc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-15(2)19-11-6-9-17(14-20,10-12-19)18-13-16-7-4-3-5-8-16/h3-5,7-8,15,18,20H,6,9-14H2,1-2H3
InChIKeyLVHYOYJLFWMVHO-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.40
Rot. Bonds5

About [4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol

[4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol (PubChem CID 65077679) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol.

Molecular Properties

Compound Name[4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol
PubChem CID65077679
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol
SMILESCC(C)N1CCCC(CO)(NCc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-15(2)19-11-6-9-17(14-20,10-12-19)18-13-16-7-4-3-5-8-16/h3-5,7-8,15,18,20H,6,9-14H2,1-2H3
InChIKeyLVHYOYJLFWMVHO-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol 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

4-(benzylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65075754
4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075738
[1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol
CID 65090266
[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
CID 22359957
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
CID 139362651
N-(4-benzyl-1-propan-2-ylpiperidin-4-yl)acetamide
CID 134505417
[1-[(4-ethylphenyl)methylamino]cyclopentyl]methanol
CID 62524121
2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol
CID 65235226
tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 146249261
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol
CID 61056770

Frequently Asked Questions

What is the IUPAC name of [4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol?
The IUPAC name of [4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol (CID 65077679) is [4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol.
What is the SMILES notation for [4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol?
The canonical SMILES for [4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol is CC(C)N1CCCC(CO)(NCc2ccccc2)CC1.
What is the InChIKey of [4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol?
The InChIKey is LVHYOYJLFWMVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15(2)19-11-6-9-17(14-20,10-12-19)18-13-16-7-4-3-5-8-16/h3-5,7-8,15,18,20H,6,9-14H2,1-2H3.
What are the key properties of [4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol?
[4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol has a molecular weight of 276.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol is sourced from PubChem (CID 65077679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).