(E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine

C12H17N — CID 167045938

IUPAC(E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine
SMILESC/C=C(N)\C(C)=C1\C=CC=CC1C
InChIInChI=1S/C12H17N/c1-4-12(13)10(3)11-8-6-5-7-9(11)2/h4-9H,13H2,1-3H3/b11-10-,12-4-
InChIKeyTXRDJRNNQPWSFQ-VVDMYENYSA-N
MW175.27 g/mol
LogP2.93
Rot. Bonds1

About (E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine

(E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine (PubChem CID 167045938) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine.

Molecular Properties

Compound Name(E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine
PubChem CID167045938
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine
SMILESC/C=C(N)\C(C)=C1\C=CC=CC1C
InChIInChI=1S/C12H17N/c1-4-12(13)10(3)11-8-6-5-7-9(11)2/h4-9H,13H2,1-3H3/b11-10-,12-4-
InChIKeyTXRDJRNNQPWSFQ-VVDMYENYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethylidene-6-methylcyclohexa-1,3-diene
CID 123649762
3-methylcyclohepta-1,4,6-trien-1-ol
CID 18714791
methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
CID 143402617
6-ethenylidenecyclohexa-2,4-dien-1-ol
CID 154163328
(2,3-dimethylcyclohepta-1,4,6-trien-1-yl)-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 123330518
N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide
CID 156793504
5-diazo-6-methylcyclohexa-1,3-diene;pentan-3-one
CID 174721318
2-methoxycarbonyl-7-methylcyclohepta-1,3,5-triene-1-carboxylic acid
CID 91197668
2-but-2-en-2-yl-7-ethyl-1-methylcyclohepta-1,3,5-triene
CID 91368819
ethane;5-methylcyclopenta-1,3-diene
CID 91295870
cobalt;cyclopentane;5-methylcyclopenta-1,3-diene
CID 172773406
4-methyl-2,4-dihydrocyclohepta[d]triazole
CID 143207550

Frequently Asked Questions

What is the IUPAC name of (E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine?
The IUPAC name of (E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine (CID 167045938) is (E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine.
What is the SMILES notation for (E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine?
The canonical SMILES for (E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine is C/C=C(N)\C(C)=C1\C=CC=CC1C.
What is the InChIKey of (E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine?
The InChIKey is TXRDJRNNQPWSFQ-VVDMYENYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-12(13)10(3)11-8-6-5-7-9(11)2/h4-9H,13H2,1-3H3/b11-10-,12-4-.
What are the key properties of (E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine?
(E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine has a molecular weight of 175.27 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine is sourced from PubChem (CID 167045938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).