N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine

C15H24N2 — CID 62977559

IUPACN'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCCc1ccc(CNCCN(C)C2CC2)cc1
InChIInChI=1S/C15H24N2/c1-3-13-4-6-14(7-5-13)12-16-10-11-17(2)15-8-9-15/h4-7,15-16H,3,8-12H2,1-2H3
InChIKeyIRFVYDOZNMMVGU-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.43
Rot. Bonds7

About N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 62977559) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID62977559
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCCc1ccc(CNCCN(C)C2CC2)cc1
InChIInChI=1S/C15H24N2/c1-3-13-4-6-14(7-5-13)12-16-10-11-17(2)15-8-9-15/h4-7,15-16H,3,8-12H2,1-2H3
InChIKeyIRFVYDOZNMMVGU-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3576210
N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 63314701
4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 55141226
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
CID 55129561
N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
CID 66408114
N-[(4-chloro-3-fluorophenyl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62975741
N'-cyclopropyl-N'-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62977755
N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 62977038
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide
CID 62980477
4-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77027875
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol
CID 62976073
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine (CID 62977559) is N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine is CCc1ccc(CNCCN(C)C2CC2)cc1.
What is the InChIKey of N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is IRFVYDOZNMMVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-13-4-6-14(7-5-13)12-16-10-11-17(2)15-8-9-15/h4-7,15-16H,3,8-12H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62977559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).