1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine

C18H30N2 — CID 116651242

IUPAC1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine
SMILESCC(C)Cc1ccc(C(C)N(C)C(CN)C2CC2)cc1
InChIInChI=1S/C18H30N2/c1-13(2)11-15-5-7-16(8-6-15)14(3)20(4)18(12-19)17-9-10-17/h5-8,13-14,17-18H,9-12,19H2,1-4H3
InChIKeyXKOBDXXQAORWHE-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.62
Rot. Bonds7

About 1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine (PubChem CID 116651242) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine
PubChem CID116651242
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine
SMILESCC(C)Cc1ccc(C(C)N(C)C(CN)C2CC2)cc1
InChIInChI=1S/C18H30N2/c1-13(2)11-15-5-7-16(8-6-15)14(3)20(4)18(12-19)17-9-10-17/h5-8,13-14,17-18H,9-12,19H2,1-4H3
InChIKeyXKOBDXXQAORWHE-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-methyl-N-[1-(4-nitrophenyl)ethyl]ethane-1,2-diamine
CID 116651231
1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine
CID 116651335
cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine
CID 4579734
N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651570
1-cyclopropyl-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43654990
(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 95443981
N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651191
4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine
CID 116937134
1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene
CID 63435610
1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 116651463
1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene
CID 103165712
3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 116911685

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine (CID 116651242) is 1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine is CC(C)Cc1ccc(C(C)N(C)C(CN)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine?
The InChIKey is XKOBDXXQAORWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13(2)11-15-5-7-16(8-6-15)14(3)20(4)18(12-19)17-9-10-17/h5-8,13-14,17-18H,9-12,19H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 116651242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).