N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

C17H31N5O — CID 50974533

IUPACN-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCC(Cn1cncn1)NCC1(N2CCOCC2)CCCCCC1
InChIInChI=1S/C17H31N5O/c1-16(12-22-15-18-14-20-22)19-13-17(6-4-2-3-5-7-17)21-8-10-23-11-9-21/h14-16,19H,2-13H2,1H3
InChIKeyJOUDLXFFYBPQQW-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.68
Rot. Bonds6

About N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 50974533) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID50974533
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC NameN-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCC(Cn1cncn1)NCC1(N2CCOCC2)CCCCCC1
InChIInChI=1S/C17H31N5O/c1-16(12-22-15-18-14-20-22)19-13-17(6-4-2-3-5-7-17)21-8-10-23-11-9-21/h14-16,19H,2-13H2,1H3
InChIKeyJOUDLXFFYBPQQW-UHFFFAOYSA-N
XLogP1.68
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-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

(2S)-1-methoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine
CID 95132389
(2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 125443752
2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 75681051
(2S)-N-(methylcarbamoyl)-2-[(1-morpholin-4-ylcyclohexyl)methylamino]propanamide
CID 51980815
N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide
CID 95207497
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 72868222
(2R)-2-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 51715596
(2R)-2-amino-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 56875780
1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111123659
N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 115595990
1-[2-(diethylamino)propyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111003197

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 50974533) is N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is CC(Cn1cncn1)NCC1(N2CCOCC2)CCCCCC1.
What is the InChIKey of N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is JOUDLXFFYBPQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-16(12-22-15-18-14-20-22)19-13-17(6-4-2-3-5-7-17)21-8-10-23-11-9-21/h14-16,19H,2-13H2,1H3.
What are the key properties of N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 321.47 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 50974533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).