ethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine

C14H36N2 — CID 144521734

IUPACethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine
SMILESCC.CC.CC.CC/C(C)=C(\CNC)NC
InChIInChI=1S/C8H18N2.3C2H6/c1-5-7(2)8(10-4)6-9-3;3*1-2/h9-10H,5-6H2,1-4H3;3*1-2H3/b8-7+;;;
InChIKeyBMJGSIMVUHXCMY-SYVONOGFSA-N
MW232.46 g/mol
LogP4.19
Rot. Bonds4

About ethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine

ethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine (PubChem CID 144521734) has the molecular formula C14H36N2 and a molecular weight of 232.46 g/mol. Its IUPAC name is ethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine.

Molecular Properties

Compound Nameethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine
PubChem CID144521734
Molecular FormulaC14H36N2
Molecular Weight232.46 g/mol
Exact Mass232.29
IUPAC Nameethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine
SMILESCC.CC.CC.CC/C(C)=C(\CNC)NC
InChIInChI=1S/C8H18N2.3C2H6/c1-5-7(2)8(10-4)6-9-3;3*1-2/h9-10H,5-6H2,1-4H3;3*1-2H3/b8-7+;;;
InChIKeyBMJGSIMVUHXCMY-SYVONOGFSA-N
XLogP4.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine
CID 139576354
1-cyclobutylidene-N'-methylethane-1,2-diamine
CID 89220897
N,4-dimethyl-1,2,3,6-tetrahydropyridin-5-amine;ethane
CID 123241224
N-methyl-1-(methylamino)formonitrilium
CID 123441453
(E)-1-N,3-diethylhex-2-ene-1,2-diamine
CID 129017119
1-cyclobutylidene-N'-propan-2-ylethane-1,2-diamine
CID 129045485
(E)-4-N,3-dimethyl-2-N-propylpent-2-ene-2,4-diamine
CID 130328862
(Z)-4-N,3-dimethylpent-2-ene-2,4-diamine
CID 134225088
(E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine
CID 134469011
1-N,1-N,2-N,3-tetramethylbut-2-ene-1,2-diamine
CID 138747661
(Z)-1-N,2-N-dimethylhex-2-ene-1,2,3-triamine
CID 139458625
ethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine
CID 142111905

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine?
The IUPAC name of ethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine (CID 144521734) is ethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine.
What is the SMILES notation for ethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine?
The canonical SMILES for ethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine is CC.CC.CC.CC/C(C)=C(\CNC)NC.
What is the InChIKey of ethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine?
The InChIKey is BMJGSIMVUHXCMY-SYVONOGFSA-N. The full InChI is InChI=1S/C8H18N2.3C2H6/c1-5-7(2)8(10-4)6-9-3;3*1-2/h9-10H,5-6H2,1-4H3;3*1-2H3/b8-7+;;;.
What are the key properties of ethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine?
ethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine has a molecular weight of 232.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine is sourced from PubChem (CID 144521734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).