N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

C23H37N3O — CID 120913965

IUPACN-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESc1ccc(CN2CCCCCC2)c(CNC2CCCC2C2COCCN2)c1
InChIInChI=1S/C23H37N3O/c1-2-6-14-26(13-5-1)17-20-9-4-3-8-19(20)16-25-22-11-7-10-21(22)23-18-27-15-12-24-23/h3-4,8-9,21-25H,1-2,5-7,10-18H2
InChIKeyQJNMIOVTLVICBB-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.31
Rot. Bonds6

About N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120913965) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120913965
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC NameN-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESc1ccc(CN2CCCCCC2)c(CNC2CCCC2C2COCCN2)c1
InChIInChI=1S/C23H37N3O/c1-2-6-14-26(13-5-1)17-20-9-4-3-8-19(20)16-25-22-11-7-10-21(22)23-18-27-15-12-24-23/h3-4,8-9,21-25H,1-2,5-7,10-18H2
InChIKeyQJNMIOVTLVICBB-UHFFFAOYSA-N
XLogP3.31
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-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

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915573
2-morpholin-3-yl-N-[(2-propan-2-yloxyphenyl)methyl]cyclopentan-1-amine
CID 120914019
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914320
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915033
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915590
1-benzyl-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine
CID 120914425
1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 120914014
N-[(2-chlorophenyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545200
[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915279
2-morpholin-3-yl-N-[[4-(phenoxymethyl)phenyl]methyl]cyclopentan-1-amine
CID 120916161
N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914428

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120913965) is N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is c1ccc(CN2CCCCCC2)c(CNC2CCCC2C2COCCN2)c1.
What is the InChIKey of N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is QJNMIOVTLVICBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-2-6-14-26(13-5-1)17-20-9-4-3-8-19(20)16-25-22-11-7-10-21(22)23-18-27-15-12-24-23/h3-4,8-9,21-25H,1-2,5-7,10-18H2.
What are the key properties of N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 371.57 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120913965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).