N-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine

C17H35N3O — CID 65072444

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NCC(C)(C)N2CCOCC2)CC1
InChIInChI=1S/C17H35N3O/c1-4-8-19-9-5-6-16(7-10-19)18-15-17(2,3)20-11-13-21-14-12-20/h16,18H,4-15H2,1-3H3
InChIKeySILBYYBOHGZOKH-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.95
Rot. Bonds6

About N-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine

N-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine (PubChem CID 65072444) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine
PubChem CID65072444
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NCC(C)(C)N2CCOCC2)CC1
InChIInChI=1S/C17H35N3O/c1-4-8-19-9-5-6-16(7-10-19)18-15-17(2,3)20-11-13-21-14-12-20/h16,18H,4-15H2,1-3H3
InChIKeySILBYYBOHGZOKH-UHFFFAOYSA-N
XLogP1.95
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-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

N-(2-methyl-2-morpholin-4-ylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087166
N-(2-methyl-2-morpholin-4-ylpropyl)spiro[4.5]decan-8-amine
CID 114817133
N-(2-methyl-2-morpholin-4-ylpropyl)-3-propan-2-ylcyclohexan-1-amine
CID 107447853
N-methyl-1-propylazepan-4-amine
CID 65072873
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111315389
2-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)cyclopentan-1-amine
CID 113259806
N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine
CID 742865
2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine
CID 65073378
2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol
CID 62374506
N-(2-methyl-2-piperazin-1-ylpropyl)cyclopentanamine
CID 80551380
1-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine
CID 61325567
N-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910858

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine (CID 65072444) is N-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine is CCCN1CCCC(NCC(C)(C)N2CCOCC2)CC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine?
The InChIKey is SILBYYBOHGZOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-8-19-9-5-6-16(7-10-19)18-15-17(2,3)20-11-13-21-14-12-20/h16,18H,4-15H2,1-3H3.
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine?
N-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine has a molecular weight of 297.49 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65072444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).