N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine

C15H30N2O — CID 65073476

IUPACN-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(NCCC2CCCO2)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)17-10-3-5-14(8-11-17)16-9-7-15-6-4-12-18-15/h13-16H,3-12H2,1-2H3
InChIKeyHCWRGCGGSKTHSB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine

N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine (PubChem CID 65073476) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine
PubChem CID65073476
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(NCCC2CCCO2)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)17-10-3-5-14(8-11-17)16-9-7-15-6-4-12-18-15/h13-16H,3-12H2,1-2H3
InChIKeyHCWRGCGGSKTHSB-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-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-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
1-methylsulfonyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
CID 65163671
N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830
N-octyl-1-propan-2-ylazepan-4-amine
CID 115566933
2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
CID 65072399
4-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 107151725
2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate
CID 83210079
2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol
CID 65103038
ethyl 4-[2-(oxan-2-yl)ethylamino]piperidine-1-carboxylate
CID 103993007
1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917113
N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 103992902
N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81297392

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine (CID 65073476) is N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine is CC(C)N1CCCC(NCCC2CCCO2)CC1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine?
The InChIKey is HCWRGCGGSKTHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)17-10-3-5-14(8-11-17)16-9-7-15-6-4-12-18-15/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine?
N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65073476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).