N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine

C18H30N2 — CID 4719916

IUPACN-[[4-(diethylamino)phenyl]methyl]cycloheptanamine
SMILESCCN(CC)c1ccc(CNC2CCCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-3-20(4-2)18-13-11-16(12-14-18)15-19-17-9-7-5-6-8-10-17/h11-14,17,19H,3-10,15H2,1-2H3
InChIKeyGKSGYNWMHDJGER-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.35
Rot. Bonds6

About N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine

N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine (PubChem CID 4719916) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]cycloheptanamine
PubChem CID4719916
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]cycloheptanamine
SMILESCCN(CC)c1ccc(CNC2CCCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-3-20(4-2)18-13-11-16(12-14-18)15-19-17-9-7-5-6-8-10-17/h11-14,17,19H,3-10,15H2,1-2H3
InChIKeyGKSGYNWMHDJGER-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine 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-[[4-(diethylamino)phenyl]methyl]oxan-3-amine
CID 63360053
N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17332385
N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline
CID 107399942
N-[(4-propylphenyl)methyl]cyclohexanamine
CID 94685509
4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline
CID 63448419
N-[(4-butylphenyl)methyl]cyclohexanamine
CID 70837938
4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline
CID 43079092
N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine
CID 115563782
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine
CID 4722425

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine (CID 4719916) is N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine is CCN(CC)c1ccc(CNC2CCCCCC2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine?
The InChIKey is GKSGYNWMHDJGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-20(4-2)18-13-11-16(12-14-18)15-19-17-9-7-5-6-8-10-17/h11-14,17,19H,3-10,15H2,1-2H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine?
N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine has a molecular weight of 274.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine is sourced from PubChem (CID 4719916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).