N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine

C18H38N2 — CID 78944163

IUPACN-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)(CNCC(C)C)CN(CCC(C)C)C1CC1
InChIInChI=1S/C18H38N2/c1-7-18(6,13-19-12-16(4)5)14-20(17-8-9-17)11-10-15(2)3/h15-17,19H,7-14H2,1-6H3
InChIKeyWKMJWQSLLHWKDJ-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.16
Rot. Bonds11

About N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine

N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 78944163) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID78944163
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)(CNCC(C)C)CN(CCC(C)C)C1CC1
InChIInChI=1S/C18H38N2/c1-7-18(6,13-19-12-16(4)5)14-20(17-8-9-17)11-10-15(2)3/h15-17,19H,7-14H2,1-6H3
InChIKeyWKMJWQSLLHWKDJ-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine (CID 78944163) is N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine is CCC(C)(CNCC(C)C)CN(CCC(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is WKMJWQSLLHWKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-18(6,13-19-12-16(4)5)14-20(17-8-9-17)11-10-15(2)3/h15-17,19H,7-14H2,1-6H3.
What are the key properties of N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine?
N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.16, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 78944163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).