N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine

C16H36N2 — CID 63491213

IUPACN-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(CC)CN(CC)CC(C)CNCC(C)C
InChIInChI=1S/C16H36N2/c1-7-16(8-2)13-18(9-3)12-15(6)11-17-10-14(4)5/h14-17H,7-13H2,1-6H3
InChIKeyGYYDHNVUJSZEDS-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.63
Rot. Bonds11

About N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine

N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 63491213) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID63491213
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC NameN-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(CC)CN(CC)CC(C)CNCC(C)C
InChIInChI=1S/C16H36N2/c1-7-16(8-2)13-18(9-3)12-15(6)11-17-10-14(4)5/h14-17H,7-13H2,1-6H3
InChIKeyGYYDHNVUJSZEDS-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930447
1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474899
(2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
CID 103934531
2-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 62515552
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine
CID 79482264
3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 63492427
N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62463714
N-ethyl-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62420843
2-ethyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63520986
2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226048
2-N-ethyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 79480134
CID 175939227
CID 175939227

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 63491213) is N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine is CCC(CC)CN(CC)CC(C)CNCC(C)C.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is GYYDHNVUJSZEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-7-16(8-2)13-18(9-3)12-15(6)11-17-10-14(4)5/h14-17H,7-13H2,1-6H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63491213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).