N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine

C16H36N2 — CID 62259004

IUPACN-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(C)C(C)CC(C)C
InChIInChI=1S/C16H36N2/c1-8-10-16(6,12-17-9-2)13-18(7)15(5)11-14(3)4/h14-15,17H,8-13H2,1-7H3
InChIKeyLTMWTHXUNGBWBN-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.77
Rot. Bonds10

About N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine

N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine (PubChem CID 62259004) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine
PubChem CID62259004
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC NameN-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(C)C(C)CC(C)C
InChIInChI=1S/C16H36N2/c1-8-10-16(6,12-17-9-2)13-18(7)15(5)11-14(3)4/h14-15,17H,8-13H2,1-7H3
InChIKeyLTMWTHXUNGBWBN-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol
CID 62337553
N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 62257607
N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine
CID 79490735
N,2-dimethyl-N-(3-methylbutan-2-yl)-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 55195786
N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256691
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine
CID 63494582
N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78944177
2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol
CID 104554726
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal
CID 62276452
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid
CID 55055416
N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine
CID 62256297
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol
CID 62266178

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine (CID 62259004) is N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine is CCCC(C)(CNCC)CN(C)C(C)CC(C)C.
What is the InChIKey of N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine?
The InChIKey is LTMWTHXUNGBWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-8-10-16(6,12-17-9-2)13-18(7)15(5)11-14(3)4/h14-15,17H,8-13H2,1-7H3.
What are the key properties of N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine?
N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 62259004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).