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

C17H36N2 — CID 78944177

IUPACN-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(CCC(C)C)C1CC1
InChIInChI=1S/C17H36N2/c1-6-11-17(5,13-18-7-2)14-19(16-8-9-16)12-10-15(3)4/h15-16,18H,6-14H2,1-5H3
InChIKeyREISKSYRURGEOZ-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds11

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

N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine (PubChem CID 78944177) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine
PubChem CID78944177
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(CCC(C)C)C1CC1
InChIInChI=1S/C17H36N2/c1-6-11-17(5,13-18-7-2)14-19(16-8-9-16)12-10-15(3)4/h15-16,18H,6-14H2,1-5H3
InChIKeyREISKSYRURGEOZ-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78987321
N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 78944163
N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 55197311
N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-propylpropane-1,3-diamine
CID 62263679
N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 55056498
N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 62257607
2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol
CID 62270068
N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine
CID 62263671
N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261090
N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine
CID 62259004
N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine
CID 79490735
1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol
CID 62337553

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine (CID 78944177) is N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine is CCCC(C)(CNCC)CN(CCC(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine?
The InChIKey is REISKSYRURGEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-11-17(5,13-18-7-2)14-19(16-8-9-16)12-10-15(3)4/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine?
N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 78944177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).