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

C12H17N — CID 138632935

IUPAC(E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine
SMILESCC/C=C(N)\C=C1\C=CC(C)=CC1
InChIInChI=1S/C12H17N/c1-3-4-12(13)9-11-7-5-10(2)6-8-11/h4-7,9H,3,8,13H2,1-2H3/b11-9-,12-4+
InChIKeyAMYHWINSWGKLLZ-PAPFAYTFSA-N
MW175.27 g/mol
LogP3.07
Rot. Bonds2

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

(E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine (PubChem CID 138632935) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine.

Molecular Properties

Compound Name(E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine
PubChem CID138632935
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine
SMILESCC/C=C(N)\C=C1\C=CC(C)=CC1
InChIInChI=1S/C12H17N/c1-3-4-12(13)9-11-7-5-10(2)6-8-11/h4-7,9H,3,8,13H2,1-2H3/b11-9-,12-4+
InChIKeyAMYHWINSWGKLLZ-PAPFAYTFSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethylidene-2-methylcyclohexa-1,3-diene
CID 136594960
ethyl 2-[4-(fluoromethylidene)cyclohexa-1,5-dien-1-yl]acetate
CID 54372500
(Z)-hex-3-en-3-amine
CID 18331654
(E)-1-fluorobut-1-en-1-amine
CID 174005766
3-methyl-1-propylcyclopenta-1,3-diene
CID 18314972
1-fluoro-2-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-5-methylcyclohepta-1,3,5-triene
CID 143241718
1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene
CID 143472891
methanol;2-methylcyclohexa-1,3-diene;propane
CID 142947667
(3E,5Z)-nona-3,5-dien-4-amine
CID 146251565
6-butan-2-ylidene-2-methylcyclohexa-1,3-diene
CID 123474573
(Z)-1-ethoxy-1-fluorobut-1-ene
CID 173135435
methanamine;(Z)-pent-2-en-2-amine
CID 145487101

Frequently Asked Questions

What is the IUPAC name of (E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine?
The IUPAC name of (E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine (CID 138632935) is (E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine.
What is the SMILES notation for (E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine?
The canonical SMILES for (E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine is CC/C=C(N)\C=C1\C=CC(C)=CC1.
What is the InChIKey of (E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine?
The InChIKey is AMYHWINSWGKLLZ-PAPFAYTFSA-N. The full InChI is InChI=1S/C12H17N/c1-3-4-12(13)9-11-7-5-10(2)6-8-11/h4-7,9H,3,8,13H2,1-2H3/b11-9-,12-4+.
What are the key properties of (E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine?
(E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine has a molecular weight of 175.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine is sourced from PubChem (CID 138632935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).