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

C19H32N2 — CID 78943985

IUPAC2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine
SMILESCCc1ccc(C(N)C(C)N(CCC(C)C)C2CC2)cc1
InChIInChI=1S/C19H32N2/c1-5-16-6-8-17(9-7-16)19(20)15(4)21(18-10-11-18)13-12-14(2)3/h6-9,14-15,18-19H,5,10-13,20H2,1-4H3
InChIKeyBOOFGBXMXKKVRC-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.15
Rot. Bonds8

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

2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine (PubChem CID 78943985) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine
PubChem CID78943985
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine
SMILESCCc1ccc(C(N)C(C)N(CCC(C)C)C2CC2)cc1
InChIInChI=1S/C19H32N2/c1-5-16-6-8-17(9-7-16)19(20)15(4)21(18-10-11-18)13-12-14(2)3/h6-9,14-15,18-19H,5,10-13,20H2,1-4H3
InChIKeyBOOFGBXMXKKVRC-UHFFFAOYSA-N
XLogP4.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine
CID 78974138
2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 107520391
2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine
CID 43270350
4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline
CID 78973906
1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 43309968
2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55125992
N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine
CID 79013721
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
CID 43309942
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
N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 61441578
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine
CID 79969641

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine (CID 78943985) is 2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine is CCc1ccc(C(N)C(C)N(CCC(C)C)C2CC2)cc1.
What is the InChIKey of 2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine?
The InChIKey is BOOFGBXMXKKVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-16-6-8-17(9-7-16)19(20)15(4)21(18-10-11-18)13-12-14(2)3/h6-9,14-15,18-19H,5,10-13,20H2,1-4H3.
What are the key properties of 2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine?
2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 78943985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).