N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine

C16H36N2 — CID 62263394

IUPACN-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CC(C)(CC)CNC(C)(C)C
InChIInChI=1S/C16H36N2/c1-8-11-18(12-9-2)14-16(7,10-3)13-17-15(4,5)6/h17H,8-14H2,1-7H3
InChIKeyUAUGWHXSPMZUSI-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.91
Rot. Bonds9

About N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine

N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine (PubChem CID 62263394) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine
PubChem CID62263394
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC NameN-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CC(C)(CC)CNC(C)(C)C
InChIInChI=1S/C16H36N2/c1-8-11-18(12-9-2)14-16(7,10-3)13-17-15(4,5)6/h17H,8-14H2,1-7H3
InChIKeyUAUGWHXSPMZUSI-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine (CID 62263394) is N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine is CCCN(CCC)CC(C)(CC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine?
The InChIKey is UAUGWHXSPMZUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-8-11-18(12-9-2)14-16(7,10-3)13-17-15(4,5)6/h17H,8-14H2,1-7H3.
What are the key properties of N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine?
N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 62263394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).