N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine

C15H24N2 — CID 103637921

IUPACN'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCCN(CCNCc1cccc(C)c1)C1CC1
InChIInChI=1S/C15H24N2/c1-3-17(15-7-8-15)10-9-16-12-14-6-4-5-13(2)11-14/h4-6,11,15-16H,3,7-10,12H2,1-2H3
InChIKeyUAFPFEMFXVZEGG-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.57
Rot. Bonds7

About N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 103637921) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID103637921
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCCN(CCNCc1cccc(C)c1)C1CC1
InChIInChI=1S/C15H24N2/c1-3-17(15-7-8-15)10-9-16-12-14-6-4-5-13(2)11-14/h4-6,11,15-16H,3,7-10,12H2,1-2H3
InChIKeyUAFPFEMFXVZEGG-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
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-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103637908
N-[(2-bromo-4-methylphenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103844980
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine
CID 113257663
2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine
CID 55219712
N'-(2-methoxyethyl)-N'-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62844290
N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
CID 54934589
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103637935
N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103637912
2-ethylsulfonyl-N-[(3-methylphenyl)methyl]ethanamine
CID 60902906
N-[(3-methylphenyl)methyl]-2-propylsulfonylethanamine
CID 106723289
N'-cyclopropyl-N'-methyl-N-[(3-nitrophenyl)methyl]ethane-1,2-diamine
CID 62976814

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine (CID 103637921) is N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine is CCN(CCNCc1cccc(C)c1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is UAFPFEMFXVZEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-17(15-7-8-15)10-9-16-12-14-6-4-5-13(2)11-14/h4-6,11,15-16H,3,7-10,12H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 103637921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).