(2E)-4-methylideneocta-2,5,6-trien-2-amine

C9H13N — CID 176530983

IUPAC(2E)-4-methylideneocta-2,5,6-trien-2-amine
SMILESC=C(C=C=CC)/C=C(\C)N
InChIInChI=1S/C9H13N/c1-4-5-6-8(2)7-9(3)10/h4,6-7H,2,10H2,1,3H3/b9-7+
InChIKeyUDPYVHYFIHEQKT-VQHVLOKHSA-N
MW135.21 g/mol
LogP2.14
Rot. Bonds2

About (2E)-4-methylideneocta-2,5,6-trien-2-amine

(2E)-4-methylideneocta-2,5,6-trien-2-amine (PubChem CID 176530983) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (2E)-4-methylideneocta-2,5,6-trien-2-amine.

Molecular Properties

Compound Name(2E)-4-methylideneocta-2,5,6-trien-2-amine
PubChem CID176530983
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(2E)-4-methylideneocta-2,5,6-trien-2-amine
SMILESC=C(C=C=CC)/C=C(\C)N
InChIInChI=1S/C9H13N/c1-4-5-6-8(2)7-9(3)10/h4,6-7H,2,10H2,1,3H3/b9-7+
InChIKeyUDPYVHYFIHEQKT-VQHVLOKHSA-N
XLogP2.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.14
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

(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 169247779
(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
CID 126728104
(3Z)-penta-1,3-diene-2,4-diamine;propane
CID 144731148
(3E)-octa-1,3,5,6-tetraen-3-amine
CID 134515463
(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine
CID 142985174
(2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine
CID 126639396
ethene;penta-2,3-diene
CID 174357342
(Z)-4-(1-aminoethenylimino)pent-2-en-2-amine
CID 173482086
ethene;(2E,4E)-4-ethenylhexa-2,4-dien-2-amine
CID 142131627
(Z)-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 142163873
(2E,5Z)-2-[(E)-1-aminoprop-1-enyl]-4-methylidenedeca-2,5,7,8-tetraenoic acid
CID 176531923
2,6-diaminohepta-2,5-dien-4-one
CID 74377910

Frequently Asked Questions

What is the IUPAC name of (2E)-4-methylideneocta-2,5,6-trien-2-amine?
The IUPAC name of (2E)-4-methylideneocta-2,5,6-trien-2-amine (CID 176530983) is (2E)-4-methylideneocta-2,5,6-trien-2-amine.
What is the SMILES notation for (2E)-4-methylideneocta-2,5,6-trien-2-amine?
The canonical SMILES for (2E)-4-methylideneocta-2,5,6-trien-2-amine is C=C(C=C=CC)/C=C(\C)N.
What is the InChIKey of (2E)-4-methylideneocta-2,5,6-trien-2-amine?
The InChIKey is UDPYVHYFIHEQKT-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H13N/c1-4-5-6-8(2)7-9(3)10/h4,6-7H,2,10H2,1,3H3/b9-7+.
What are the key properties of (2E)-4-methylideneocta-2,5,6-trien-2-amine?
(2E)-4-methylideneocta-2,5,6-trien-2-amine has a molecular weight of 135.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-methylideneocta-2,5,6-trien-2-amine is sourced from PubChem (CID 176530983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).