N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine

C14H22N2 — CID 63865981

IUPACN'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine
SMILESCC1CC1CN(C)CCNc1ccccc1
InChIInChI=1S/C14H22N2/c1-12-10-13(12)11-16(2)9-8-15-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyKEBXDQZCTHZRDT-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.69
Rot. Bonds6

About N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine

N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine (PubChem CID 63865981) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine
PubChem CID63865981
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine
SMILESCC1CC1CN(C)CCNc1ccccc1
InChIInChI=1S/C14H22N2/c1-12-10-13(12)11-16(2)9-8-15-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyKEBXDQZCTHZRDT-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine (CID 63865981) is N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine is CC1CC1CN(C)CCNc1ccccc1.
What is the InChIKey of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine?
The InChIKey is KEBXDQZCTHZRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-10-13(12)11-16(2)9-8-15-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3.
What are the key properties of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine?
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine is sourced from PubChem (CID 63865981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).