3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine

C8H15N — CID 55284564

IUPAC3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine
SMILESC=C(C)C(CN)C(=C)C
InChIInChI=1S/C8H15N/c1-6(2)8(5-9)7(3)4/h8H,1,3,5,9H2,2,4H3
InChIKeyGKQCMCXFXYMOPS-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.71
Rot. Bonds3

About 3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine

3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine (PubChem CID 55284564) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine
PubChem CID55284564
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine
SMILESC=C(C)C(CN)C(=C)C
InChIInChI=1S/C8H15N/c1-6(2)8(5-9)7(3)4/h8H,1,3,5,9H2,2,4H3
InChIKeyGKQCMCXFXYMOPS-UHFFFAOYSA-N
XLogP1.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminooxy-2-oxoethyl)-3-methylbut-3-enoic acid
CID 90183215
3-methyl-2-phenylbut-3-en-1-amine
CID 67451506
amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate
CID 174179934
1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene
CID 123297177
4,5-dimethylhexa-2,5-dien-1-amine
CID 175574520
5,6-dimethyl-3-prop-1-en-2-ylhept-5-en-2-one
CID 23341732
2-prop-1-en-2-ylpent-4-ynoic acid
CID 22614004
1-prop-1-en-2-yloxypropan-2-ol
CID 15051326
2,5-dimethylhex-5-en-3-amine
CID 79177176
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
2-methylpropane;prop-1-en-2-amine
CID 174893746
(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol
CID 146552954

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine?
The IUPAC name of 3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine (CID 55284564) is 3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine.
What is the SMILES notation for 3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine?
The canonical SMILES for 3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine is C=C(C)C(CN)C(=C)C.
What is the InChIKey of 3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine?
The InChIKey is GKQCMCXFXYMOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)8(5-9)7(3)4/h8H,1,3,5,9H2,2,4H3.
What are the key properties of 3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine?
3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine is sourced from PubChem (CID 55284564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).