N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine

C16H34N2 — CID 62256141

IUPACN-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
SMILESCCCC(C)N(C)CC(CC)(CC)CNC1CC1
InChIInChI=1S/C16H34N2/c1-6-9-14(4)18(5)13-16(7-2,8-3)12-17-15-10-11-15/h14-15,17H,6-13H2,1-5H3
InChIKeyYQDJZTVJKQCFMW-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds10

About N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine

N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine (PubChem CID 62256141) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
PubChem CID62256141
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
SMILESCCCC(C)N(C)CC(CC)(CC)CNC1CC1
InChIInChI=1S/C16H34N2/c1-6-9-14(4)18(5)13-16(7-2,8-3)12-17-15-10-11-15/h14-15,17H,6-13H2,1-5H3
InChIKeyYQDJZTVJKQCFMW-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine (CID 62256141) is N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine is CCCC(C)N(C)CC(CC)(CC)CNC1CC1.
What is the InChIKey of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine?
The InChIKey is YQDJZTVJKQCFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-9-14(4)18(5)13-16(7-2,8-3)12-17-15-10-11-15/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine?
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62256141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).