(1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine

C7H13N — CID 143331601

IUPAC(1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine
SMILESC=C(C)/C(=C\N)CC
InChIInChI=1S/C7H13N/c1-4-7(5-8)6(2)3/h5H,2,4,8H2,1,3H3/b7-5-
InChIKeyXFKLVVRETYHZRN-ALCCZGGFSA-N
MW111.19 g/mol
LogP1.82
Rot. Bonds2

About (1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine

(1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine (PubChem CID 143331601) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine
PubChem CID143331601
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine
SMILESC=C(C)/C(=C\N)CC
InChIInChI=1S/C7H13N/c1-4-7(5-8)6(2)3/h5H,2,4,8H2,1,3H3/b7-5-
InChIKeyXFKLVVRETYHZRN-ALCCZGGFSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine
CID 171509109
(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene
CID 145100268
(1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine
CID 89034156
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
2-ethylbut-1-en-1-amine;ethyl 2-methylprop-2-enoate
CID 175401035
ethenamine;2-methylprop-2-enoic acid
CID 18702482
N'-[2-[(Z)-1-aminobut-1-en-2-yl]-4-methyl-3-oxopenta-1,4-dienyl]benzohydrazide
CID 173499178
(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961
(3Z)-2,4-dimethylhexa-1,3-dien-3-amine
CID 167041122
(E)-3-methylidenepent-1-en-1-amine
CID 154554960
methane;bis(2-methylbut-1-ene)
CID 160529780
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine (CID 143331601) is (1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine is C=C(C)/C(=C\N)CC.
What is the InChIKey of (1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine?
The InChIKey is XFKLVVRETYHZRN-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H13N/c1-4-7(5-8)6(2)3/h5H,2,4,8H2,1,3H3/b7-5-.
What are the key properties of (1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine?
(1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine is sourced from PubChem (CID 143331601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).