N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine

C17H29N3 — CID 63314701

IUPACN'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(C)c1ccc(CNCCN(C)C2CCCC2)cc1
InChIInChI=1S/C17H29N3/c1-19(2)16-10-8-15(9-11-16)14-18-12-13-20(3)17-6-4-5-7-17/h8-11,17-18H,4-7,12-14H2,1-3H3
InChIKeyKZORZUPNAMGEBL-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.72
Rot. Bonds7

About N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 63314701) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine
PubChem CID63314701
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(C)c1ccc(CNCCN(C)C2CCCC2)cc1
InChIInChI=1S/C17H29N3/c1-19(2)16-10-8-15(9-11-16)14-18-12-13-20(3)17-6-4-5-7-17/h8-11,17-18H,4-7,12-14H2,1-3H3
InChIKeyKZORZUPNAMGEBL-UHFFFAOYSA-N
XLogP2.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline
CID 115690285
N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62977559
4-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77027875
N-[(4-bromo-3-methylphenyl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 66472639
5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol
CID 63315050
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine
CID 3029601
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60733454
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine;tetrahydrochloride
CID 3029600
4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 55141226
N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
CID 63314803
N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17332385

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine (CID 63314701) is N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine is CN(C)c1ccc(CNCCN(C)C2CCCC2)cc1.
What is the InChIKey of N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is KZORZUPNAMGEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-19(2)16-10-8-15(9-11-16)14-18-12-13-20(3)17-6-4-5-7-17/h8-11,17-18H,4-7,12-14H2,1-3H3.
What are the key properties of N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63314701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).