N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine

C15H24N2 — CID 54883872

IUPACN-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(C)CC2CC2)cc1
InChIInChI=1S/C15H24N2/c1-3-12-6-8-14(9-7-12)15(10-16)17(2)11-13-4-5-13/h6-9,13,15H,3-5,10-11,16H2,1-2H3
InChIKeyFMNLULFOCGGVDH-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.59
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine

N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine (PubChem CID 54883872) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine
PubChem CID54883872
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(C)CC2CC2)cc1
InChIInChI=1S/C15H24N2/c1-3-12-6-8-14(9-7-12)15(10-16)17(2)11-13-4-5-13/h6-9,13,15H,3-5,10-11,16H2,1-2H3
InChIKeyFMNLULFOCGGVDH-UHFFFAOYSA-N
XLogP2.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine (CID 54883872) is N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine is CCc1ccc(C(CN)N(C)CC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is FMNLULFOCGGVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-12-6-8-14(9-7-12)15(10-16)17(2)11-13-4-5-13/h6-9,13,15H,3-5,10-11,16H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 54883872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).