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

C15H24N2 — CID 55070888

IUPACN-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(C)CCNCC2CC2)c1
InChIInChI=1S/C15H24N2/c1-13-4-3-5-15(10-13)12-17(2)9-8-16-11-14-6-7-14/h3-5,10,14,16H,6-9,11-12H2,1-2H3
InChIKeyVHODJYBMSSEUFL-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.43
Rot. Bonds7

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

N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 55070888) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID55070888
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(C)CCNCC2CC2)c1
InChIInChI=1S/C15H24N2/c1-13-4-3-5-15(10-13)12-17(2)9-8-16-11-14-6-7-14/h3-5,10,14,16H,6-9,11-12H2,1-2H3
InChIKeyVHODJYBMSSEUFL-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-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61411868
N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62556402
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077282
1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone
CID 63913034
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
N'-(2-methoxyethyl)-N'-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62844290
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
N-methyl-N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylethanamine
CID 114628337

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (CID 55070888) is N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is Cc1cccc(CN(C)CCNCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is VHODJYBMSSEUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-4-3-5-15(10-13)12-17(2)9-8-16-11-14-6-7-14/h3-5,10,14,16H,6-9,11-12H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-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-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55070888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).