(1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine

C12H17N — CID 142236702

IUPAC(1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine
SMILESC=C(CC)/C(NC)=C1\C=CC=CC1
InChIInChI=1S/C12H17N/c1-4-10(2)12(13-3)11-8-6-5-7-9-11/h5-8,13H,2,4,9H2,1,3H3/b12-11-
InChIKeySEVFZIDTTMLBNZ-QXMHVHEDSA-N
MW175.27 g/mol
LogP2.94
Rot. Bonds3

About (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine

(1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine (PubChem CID 142236702) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine.

Molecular Properties

Compound Name(1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine
PubChem CID142236702
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine
SMILESC=C(CC)/C(NC)=C1\C=CC=CC1
InChIInChI=1S/C12H17N/c1-4-10(2)12(13-3)11-8-6-5-7-9-11/h5-8,13H,2,4,9H2,1,3H3/b12-11-
InChIKeySEVFZIDTTMLBNZ-QXMHVHEDSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5E)-5-butan-2-ylidenecyclohexa-1,3-diene
CID 10978663
(5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene
CID 142883877
2-[(E)-cyclohexa-2,4-dien-1-ylidene(1-triphenylen-2-ylethenylsulfanyl)methyl]triphenylene
CID 139372673
5-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,3-diene
CID 172943537
methyl (E)-2-[(Z)-cyclohexa-2,4-dien-1-ylidene(methoxy)methyl]pent-2-enoate
CID 126695725
(Z,3S,5E)-5-cyclohexa-2,4-dien-1-ylidene-3-(methylamino)oct-6-en-2-one
CID 126551781
cyclohepta-1,4,6-trien-1-ol;propane
CID 143919108
1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene
CID 137161158
(Z,4E)-4-cyclohexa-2,4-dien-1-ylidene-N-methylbut-2-en-2-amine
CID 143168255
5-methylidenecyclohexa-1,3-diene;dihydrobromide
CID 175171179
(2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane
CID 145365921
N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine
CID 163890974

Frequently Asked Questions

What is the IUPAC name of (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine?
The IUPAC name of (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine (CID 142236702) is (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine.
What is the SMILES notation for (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine?
The canonical SMILES for (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine is C=C(CC)/C(NC)=C1\C=CC=CC1.
What is the InChIKey of (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine?
The InChIKey is SEVFZIDTTMLBNZ-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H17N/c1-4-10(2)12(13-3)11-8-6-5-7-9-11/h5-8,13H,2,4,9H2,1,3H3/b12-11-.
What are the key properties of (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine?
(1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine is sourced from PubChem (CID 142236702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).