3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine

C16H36N2 — CID 81019378

IUPAC3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
SMILESCCC(C)CN(CC)C(C)C(C)CNCC(C)C
InChIInChI=1S/C16H36N2/c1-8-14(5)12-18(9-2)16(7)15(6)11-17-10-13(3)4/h13-17H,8-12H2,1-7H3
InChIKeyGWENYHKKAPDTSJ-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.62
Rot. Bonds10

About 3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine

3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine (PubChem CID 81019378) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
PubChem CID81019378
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
SMILESCCC(C)CN(CC)C(C)C(C)CNCC(C)C
InChIInChI=1S/C16H36N2/c1-8-14(5)12-18(9-2)16(7)15(6)11-17-10-13(3)4/h13-17H,8-12H2,1-7H3
InChIKeyGWENYHKKAPDTSJ-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 79480134
3-N-ethyl-2-methyl-1-N-(2-methylpropyl)-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 81012737
2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62422422
1-[methyl(2-methylbutyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474908
3-N,2-dimethyl-3-N-(4-methylpentan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019594
2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226048
CID 175939227
CID 175939227
2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62419582
N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63491213
2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
CID 79409681
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine
CID 79482264
3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
CID 81012962

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine?
The IUPAC name of 3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine (CID 81019378) is 3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine is CCC(C)CN(CC)C(C)C(C)CNCC(C)C.
What is the InChIKey of 3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine?
The InChIKey is GWENYHKKAPDTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-8-14(5)12-18(9-2)16(7)15(6)11-17-10-13(3)4/h13-17H,8-12H2,1-7H3.
What are the key properties of 3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine?
3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine is sourced from PubChem (CID 81019378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).