(E)-3-methylidenepent-1-en-1-amine

C6H11N — CID 154554960

IUPAC(E)-3-methylidenepent-1-en-1-amine
SMILESC=C(/C=C/N)CC
InChIInChI=1S/C6H11N/c1-3-6(2)4-5-7/h4-5H,2-3,7H2,1H3/b5-4+
InChIKeyOBQXJOFPXYGNDE-SNAWJCMRSA-N
MW97.16 g/mol
LogP1.42
Rot. Bonds2

About (E)-3-methylidenepent-1-en-1-amine

(E)-3-methylidenepent-1-en-1-amine (PubChem CID 154554960) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (E)-3-methylidenepent-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-methylidenepent-1-en-1-amine
PubChem CID154554960
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(E)-3-methylidenepent-1-en-1-amine
SMILESC=C(/C=C/N)CC
InChIInChI=1S/C6H11N/c1-3-6(2)4-5-7/h4-5H,2-3,7H2,1H3/b5-4+
InChIKeyOBQXJOFPXYGNDE-SNAWJCMRSA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.42
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

(1E,3Z)-2-chloro-5-methylidenehepta-1,3-dien-1-amine
CID 90048186
2-bromo-5-methylidenehepta-1,3-diene
CID 123950056
(Z)-5-methylidenehept-3-en-2-one
CID 123321874
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
ethyl (E)-4-methylidenehex-2-enoate
CID 11126476
3-methylidenepent-1-ene
CID 18850
(Z)-2-fluoro-5-methylidenehept-3-ene
CID 142878223
(2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol
CID 142113261
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
methane;(4Z)-2-methyl-6-methylideneocta-2,4-diene
CID 145083529
ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143380166
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
CID 91256552

Frequently Asked Questions

What is the IUPAC name of (E)-3-methylidenepent-1-en-1-amine?
The IUPAC name of (E)-3-methylidenepent-1-en-1-amine (CID 154554960) is (E)-3-methylidenepent-1-en-1-amine.
What is the SMILES notation for (E)-3-methylidenepent-1-en-1-amine?
The canonical SMILES for (E)-3-methylidenepent-1-en-1-amine is C=C(/C=C/N)CC.
What is the InChIKey of (E)-3-methylidenepent-1-en-1-amine?
The InChIKey is OBQXJOFPXYGNDE-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11N/c1-3-6(2)4-5-7/h4-5H,2-3,7H2,1H3/b5-4+.
What are the key properties of (E)-3-methylidenepent-1-en-1-amine?
(E)-3-methylidenepent-1-en-1-amine has a molecular weight of 97.16 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylidenepent-1-en-1-amine is sourced from PubChem (CID 154554960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).