N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride

C17H29ClN2 — CID 17332385

IUPACN-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
SMILESCN(C)c1ccc(CNC2CCCCCCC2)cc1.Cl
InChIInChI=1S/C17H28N2.ClH/c1-19(2)17-12-10-15(11-13-17)14-18-16-8-6-4-3-5-7-9-16;/h10-13,16,18H,3-9,14H2,1-2H3;1H
InChIKeyCSJIGGYAECTZFL-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.38
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride

N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride (PubChem CID 17332385) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
PubChem CID17332385
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
SMILESCN(C)c1ccc(CNC2CCCCCCC2)cc1.Cl
InChIInChI=1S/C17H28N2.ClH/c1-19(2)17-12-10-15(11-13-17)14-18-16-8-6-4-3-5-7-9-16;/h10-13,16,18H,3-9,14H2,1-2H3;1H
InChIKeyCSJIGGYAECTZFL-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 54.38
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'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1-methylazepan-4-amine
CID 65071147
4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
CID 43178531
N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine
CID 4719916
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline
CID 43769966
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
N-[(4-propylphenyl)methyl]cyclohexanamine
CID 94685509
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline
CID 64500811
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride (CID 17332385) is N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride is CN(C)c1ccc(CNC2CCCCCCC2)cc1.Cl.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride?
The InChIKey is CSJIGGYAECTZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.ClH/c1-19(2)17-12-10-15(11-13-17)14-18-16-8-6-4-3-5-7-9-16;/h10-13,16,18H,3-9,14H2,1-2H3;1H.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride?
N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride has a molecular weight of 296.89 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride is sourced from PubChem (CID 17332385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).