2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine

C16H32N2O — CID 55139983

IUPAC2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1CN1CCCOCC1
InChIInChI=1S/C16H32N2O/c1-2-9-17-16-8-5-3-4-7-15(16)14-18-10-6-12-19-13-11-18/h15-17H,2-14H2,1H3
InChIKeyLVIUZPPIVMOLMB-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds5

About 2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine

2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine (PubChem CID 55139983) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine
PubChem CID55139983
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1CN1CCCOCC1
InChIInChI=1S/C16H32N2O/c1-2-9-17-16-8-5-3-4-7-15(16)14-18-10-6-12-19-13-11-18/h15-17H,2-14H2,1H3
InChIKeyLVIUZPPIVMOLMB-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine 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

2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine
CID 62973181
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62973885
2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62614593
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
CID 62614441
N-propyl-2-[(4-propylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 55094030
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
CID 62616357
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62616535
2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62616709
2-[(2-methylmorpholin-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 55093836
N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine
CID 62972825
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propylcycloheptan-1-amine
CID 63973579
2-ethyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
CID 61466977

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine?
The IUPAC name of 2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine (CID 55139983) is 2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1CN1CCCOCC1.
What is the InChIKey of 2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine?
The InChIKey is LVIUZPPIVMOLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-9-17-16-8-5-3-4-7-15(16)14-18-10-6-12-19-13-11-18/h15-17H,2-14H2,1H3.
What are the key properties of 2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine?
2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 55139983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).