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

C20H28N4O — CID 120915193

IUPACN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESc1cc(CNC2CCCC2C2COCCN2)cc(Cn2ccnc2)c1
InChIInChI=1S/C20H28N4O/c1-3-16(11-17(4-1)13-24-9-7-21-15-24)12-23-19-6-2-5-18(19)20-14-25-10-8-22-20/h1,3-4,7,9,11,15,18-20,22-23H,2,5-6,8,10,12-14H2
InChIKeyPDYUGPYCHDISHP-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.18
Rot. Bonds6

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

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120915193) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120915193
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESc1cc(CNC2CCCC2C2COCCN2)cc(Cn2ccnc2)c1
InChIInChI=1S/C20H28N4O/c1-3-16(11-17(4-1)13-24-9-7-21-15-24)12-23-19-6-2-5-18(19)20-14-25-10-8-22-20/h1,3-4,7,9,11,15,18-20,22-23H,2,5-6,8,10,12-14H2
InChIKeyPDYUGPYCHDISHP-UHFFFAOYSA-N
XLogP2.18
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine with MolForge

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Related Compounds

[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914320
N-[[3-(methoxymethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915585
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120916423
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]acetamide;hydrochloride
CID 120915446
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 120914967
3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120914232
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915279
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 120915797
N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 120915330
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915209

Frequently Asked Questions

What is the IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120915193) is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is c1cc(CNC2CCCC2C2COCCN2)cc(Cn2ccnc2)c1.
What is the InChIKey of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is PDYUGPYCHDISHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-3-16(11-17(4-1)13-24-9-7-21-15-24)12-23-19-6-2-5-18(19)20-14-25-10-8-22-20/h1,3-4,7,9,11,15,18-20,22-23H,2,5-6,8,10,12-14H2.
What are the key properties of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 340.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120915193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).