N',2-diethyl-N'-methylpropane-1,3-diamine;propane

C11H28N2 — CID 142151966

IUPACN',2-diethyl-N'-methylpropane-1,3-diamine;propane
SMILESCCC.CCC(CN)CN(C)CC
InChIInChI=1S/C8H20N2.C3H8/c1-4-8(6-9)7-10(3)5-2;1-3-2/h8H,4-7,9H2,1-3H3;3H2,1-2H3
InChIKeyMHZZZPRWMREGNM-UHFFFAOYSA-N
MW188.36 g/mol
LogP2.34
Rot. Bonds5

About N',2-diethyl-N'-methylpropane-1,3-diamine;propane

N',2-diethyl-N'-methylpropane-1,3-diamine;propane (PubChem CID 142151966) has the molecular formula C11H28N2 and a molecular weight of 188.36 g/mol. Its IUPAC name is N',2-diethyl-N'-methylpropane-1,3-diamine;propane.

Molecular Properties

Compound NameN',2-diethyl-N'-methylpropane-1,3-diamine;propane
PubChem CID142151966
Molecular FormulaC11H28N2
Molecular Weight188.36 g/mol
Exact Mass188.23
IUPAC NameN',2-diethyl-N'-methylpropane-1,3-diamine;propane
SMILESCCC.CCC(CN)CN(C)CC
InChIInChI=1S/C8H20N2.C3H8/c1-4-8(6-9)7-10(3)5-2;1-3-2/h8H,4-7,9H2,1-3H3;3H2,1-2H3
InChIKeyMHZZZPRWMREGNM-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N',2-dimethylpropane-1,3-diamine
CID 25219171
N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine
CID 103189603
2-ethylpropane-1,3-diamine
CID 14499053
2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine
CID 63070797
2-ethyl-N',N',4-trimethylpentane-1,5-diamine
CID 170202582
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
2-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 65233412
2,4-diethylpentane-1,5-diamine;ethanamine
CID 162225203
2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 115251756
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251540
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216

Frequently Asked Questions

What is the IUPAC name of N',2-diethyl-N'-methylpropane-1,3-diamine;propane?
The IUPAC name of N',2-diethyl-N'-methylpropane-1,3-diamine;propane (CID 142151966) is N',2-diethyl-N'-methylpropane-1,3-diamine;propane.
What is the SMILES notation for N',2-diethyl-N'-methylpropane-1,3-diamine;propane?
The canonical SMILES for N',2-diethyl-N'-methylpropane-1,3-diamine;propane is CCC.CCC(CN)CN(C)CC.
What is the InChIKey of N',2-diethyl-N'-methylpropane-1,3-diamine;propane?
The InChIKey is MHZZZPRWMREGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.C3H8/c1-4-8(6-9)7-10(3)5-2;1-3-2/h8H,4-7,9H2,1-3H3;3H2,1-2H3.
What are the key properties of N',2-diethyl-N'-methylpropane-1,3-diamine;propane?
N',2-diethyl-N'-methylpropane-1,3-diamine;propane has a molecular weight of 188.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-diethyl-N'-methylpropane-1,3-diamine;propane is sourced from PubChem (CID 142151966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).