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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Related Compounds

N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-propylpropane-1,3-diamine
CID 62263679
N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78944177
N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62258875
2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62262144
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78987321
N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55197122
2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine
CID 63482502
N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63956910
N-butan-2-yl-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264012
N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 62263510
2-[cyclobutyl-[2-(ethylaminomethyl)-2-methylbutyl]amino]ethanol
CID 102870942
N-cyclopropyl-N',2-diethyl-2-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256566

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).