N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine

C15H24N2 — CID 61077282

IUPACN-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCCN(CCNCC1CC1)c1cccc(C)c1
InChIInChI=1S/C15H24N2/c1-3-17(10-9-16-12-14-7-8-14)15-6-4-5-13(2)11-15/h4-6,11,14,16H,3,7-10,12H2,1-2H3
InChIKeyDDJQUTHAWYPVBU-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.82
Rot. Bonds7

About N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine

N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 61077282) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
PubChem CID61077282
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCCN(CCNCC1CC1)c1cccc(C)c1
InChIInChI=1S/C15H24N2/c1-3-17(10-9-16-12-14-7-8-14)15-6-4-5-13(2)11-15/h4-6,11,14,16H,3,7-10,12H2,1-2H3
InChIKeyDDJQUTHAWYPVBU-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-(cyclopentylmethyl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 62575926
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62561630
N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62561635
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831760
2-[cyclopropyl(ethyl)amino]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 112826130
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 55070888
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119831762
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine (CID 61077282) is N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine is CCN(CCNCC1CC1)c1cccc(C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is DDJQUTHAWYPVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-17(10-9-16-12-14-7-8-14)15-6-4-5-13(2)11-15/h4-6,11,14,16H,3,7-10,12H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine?
N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61077282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).