2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine

C18H30N2 — CID 78974138

IUPAC2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine
SMILESCc1ccc(C(N)C(C)N(CCC(C)C)C2CC2)cc1
InChIInChI=1S/C18H30N2/c1-13(2)11-12-20(17-9-10-17)15(4)18(19)16-7-5-14(3)6-8-16/h5-8,13,15,17-18H,9-12,19H2,1-4H3
InChIKeyFKMHEUNLZWECGG-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.89
Rot. Bonds7

About 2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine

2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine (PubChem CID 78974138) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine
PubChem CID78974138
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine
SMILESCc1ccc(C(N)C(C)N(CCC(C)C)C2CC2)cc1
InChIInChI=1S/C18H30N2/c1-13(2)11-12-20(17-9-10-17)15(4)18(19)16-7-5-14(3)6-8-16/h5-8,13,15,17-18H,9-12,19H2,1-4H3
InChIKeyFKMHEUNLZWECGG-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine
CID 78943985
2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 107520391
4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline
CID 78973906
2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine
CID 43270350
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine
CID 79969641
1-(4-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
CID 43105242
N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619830
4-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78935157
3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 65054486
N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine
CID 79013721
1-(1,3-benzodioxol-5-yl)-N-cyclopropyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 78973599
2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid
CID 78974311

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine (CID 78974138) is 2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine is Cc1ccc(C(N)C(C)N(CCC(C)C)C2CC2)cc1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine?
The InChIKey is FKMHEUNLZWECGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13(2)11-12-20(17-9-10-17)15(4)18(19)16-7-5-14(3)6-8-16/h5-8,13,15,17-18H,9-12,19H2,1-4H3.
What are the key properties of 2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine?
2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 78974138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).