2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine

C16H26N2 — CID 64917816

IUPAC2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine
SMILESCCN(c1ccccc1C)C(CC)(CN)C1CC1
InChIInChI=1S/C16H26N2/c1-4-16(12-17,14-10-11-14)18(5-2)15-9-7-6-8-13(15)3/h6-9,14H,4-5,10-12,17H2,1-3H3
InChIKeyYZCYROXEQWERNA-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.34
Rot. Bonds6

About 2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine

2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine (PubChem CID 64917816) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine
PubChem CID64917816
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine
SMILESCCN(c1ccccc1C)C(CC)(CN)C1CC1
InChIInChI=1S/C16H26N2/c1-4-16(12-17,14-10-11-14)18(5-2)15-9-7-6-8-13(15)3/h6-9,14H,4-5,10-12,17H2,1-3H3
InChIKeyYZCYROXEQWERNA-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 64918033
N-cyclopropyl-N-ethyl-2-methylaniline
CID 123141006
2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 62260800
2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-2-methylanilino)propanamide
CID 63906338
2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol
CID 64790377
1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol
CID 64818535
2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid
CID 63907183
N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline
CID 43428482
2-cyclopropyl-3-(N,2-dimethylanilino)-2-(methylamino)propanoic acid
CID 63919631
2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 64919535
ethanamine;1,2-xylene
CID 160781195
N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline
CID 142467015

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine (CID 64917816) is 2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine is CCN(c1ccccc1C)C(CC)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine?
The InChIKey is YZCYROXEQWERNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-16(12-17,14-10-11-14)18(5-2)15-9-7-6-8-13(15)3/h6-9,14H,4-5,10-12,17H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine?
2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine is sourced from PubChem (CID 64917816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).