2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine

C17H28N2 — CID 55125992

IUPAC2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
SMILESCCc1ccc(C(N)C(C)N(C)CC2CCC2)cc1
InChIInChI=1S/C17H28N2/c1-4-14-8-10-16(11-9-14)17(18)13(2)19(3)12-15-6-5-7-15/h8-11,13,15,17H,4-7,12,18H2,1-3H3
InChIKeyNSDZWUAYBDJPHV-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.37
Rot. Bonds6

About 2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine

2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine (PubChem CID 55125992) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
PubChem CID55125992
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
SMILESCCc1ccc(C(N)C(C)N(C)CC2CCC2)cc1
InChIInChI=1S/C17H28N2/c1-4-14-8-10-16(11-9-14)17(18)13(2)19(3)12-15-6-5-7-15/h8-11,13,15,17H,4-7,12,18H2,1-3H3
InChIKeyNSDZWUAYBDJPHV-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-N-methyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61431442
1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 43309968
N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 54883872
1-(4-ethylphenyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 60890609
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
CID 43309942
1-(4-fluorophenyl)-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 107521169
2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine
CID 78943985
1-(4-ethylphenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63726473
2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine
CID 63469585
2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine
CID 79477411
(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
CID 171230830
N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 63468506

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine (CID 55125992) is 2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine is CCc1ccc(C(N)C(C)N(C)CC2CCC2)cc1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is NSDZWUAYBDJPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-14-8-10-16(11-9-14)17(18)13(2)19(3)12-15-6-5-7-15/h8-11,13,15,17H,4-7,12,18H2,1-3H3.
What are the key properties of 2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine?
2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 55125992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).