(Z)-3,3-dimethylbut-1-en-1-amine;ethane

C8H19N — CID 143062859

IUPAC(Z)-3,3-dimethylbut-1-en-1-amine;ethane
SMILESCC.CC(C)(C)/C=C\N
InChIInChI=1S/C6H13N.C2H6/c1-6(2,3)4-5-7;1-2/h4-5H,7H2,1-3H3;1-2H3/b5-4-;
InChIKeyXFZSNXBEIYMCAO-MKWAYWHRSA-N
MW129.25 g/mol
LogP2.53
Rot. Bonds

About (Z)-3,3-dimethylbut-1-en-1-amine;ethane

(Z)-3,3-dimethylbut-1-en-1-amine;ethane (PubChem CID 143062859) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is (Z)-3,3-dimethylbut-1-en-1-amine;ethane.

Molecular Properties

Compound Name(Z)-3,3-dimethylbut-1-en-1-amine;ethane
PubChem CID143062859
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name(Z)-3,3-dimethylbut-1-en-1-amine;ethane
SMILESCC.CC(C)(C)/C=C\N
InChIInChI=1S/C6H13N.C2H6/c1-6(2,3)4-5-7;1-2/h4-5H,7H2,1-3H3;1-2H3/b5-4-;
InChIKeyXFZSNXBEIYMCAO-MKWAYWHRSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylpropane;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162128993
(1Z)-3-methylpenta-1,4-diene-1,3-diamine
CID 143213661
(E)-2,5,5-trimethylhex-3-en-2-amine
CID 166660813
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
1-bromo-4,4-dimethylpent-2-ene
CID 71373616
(3E,5E,7E,9E,11E,13E,15E,17E)-2,2,19,19-tetramethylicosa-3,5,7,9,11,13,15,17-octaene
CID 11782262
(E)-4,4-dimethylpent-2-ene
CID 159305896
butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162269346
cobalt;4,4-dimethylpent-2-ene
CID 140752146
(E)-2-chloro-2,5,5-trimethylhex-3-ene
CID 118583254
ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine
CID 145365374
3,3-dimethylbut-1-ene;2,2-dimethylpropane
CID 162278792

Frequently Asked Questions

What is the IUPAC name of (Z)-3,3-dimethylbut-1-en-1-amine;ethane?
The IUPAC name of (Z)-3,3-dimethylbut-1-en-1-amine;ethane (CID 143062859) is (Z)-3,3-dimethylbut-1-en-1-amine;ethane.
What is the SMILES notation for (Z)-3,3-dimethylbut-1-en-1-amine;ethane?
The canonical SMILES for (Z)-3,3-dimethylbut-1-en-1-amine;ethane is CC.CC(C)(C)/C=C\N.
What is the InChIKey of (Z)-3,3-dimethylbut-1-en-1-amine;ethane?
The InChIKey is XFZSNXBEIYMCAO-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H13N.C2H6/c1-6(2,3)4-5-7;1-2/h4-5H,7H2,1-3H3;1-2H3/b5-4-;.
What are the key properties of (Z)-3,3-dimethylbut-1-en-1-amine;ethane?
(Z)-3,3-dimethylbut-1-en-1-amine;ethane has a molecular weight of 129.25 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3-dimethylbut-1-en-1-amine;ethane is sourced from PubChem (CID 143062859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).