N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine

C18H38N2 — CID 63495721

IUPACN-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC1CC1)CC(CC)(CC)CNC(C)(C)C
InChIInChI=1S/C18H38N2/c1-7-12-20(13-16-10-11-16)15-18(8-2,9-3)14-19-17(4,5)6/h16,19H,7-15H2,1-6H3
InChIKeyNCCQSYGXXNLHII-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds10

About N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine

N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine (PubChem CID 63495721) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
PubChem CID63495721
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC1CC1)CC(CC)(CC)CNC(C)(C)C
InChIInChI=1S/C18H38N2/c1-7-12-20(13-16-10-11-16)15-18(8-2,9-3)14-19-17(4,5)6/h16,19H,7-15H2,1-6H3
InChIKeyNCCQSYGXXNLHII-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 62258479
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494862
N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 62263106
1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 115475061
2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine
CID 61443395
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62263050
N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62263394
2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine
CID 65004000
2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-propylamino]ethanol
CID 55056097
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
CID 61445615
N,2,2-triethyl-N'-methyl-N-propylpropane-1,3-diamine
CID 62262351

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine (CID 63495721) is N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine is CCCN(CC1CC1)CC(CC)(CC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine?
The InChIKey is NCCQSYGXXNLHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-12-20(13-16-10-11-16)15-18(8-2,9-3)14-19-17(4,5)6/h16,19H,7-15H2,1-6H3.
What are the key properties of N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine?
N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 63495721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).