3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine

C14H17N — CID 155072944

IUPAC3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine
SMILESC/C(=C\C1=CC=CC1)C1=CCCC(N)=C1
InChIInChI=1S/C14H17N/c1-11(9-12-5-2-3-6-12)13-7-4-8-14(15)10-13/h2-3,5,7,9-10H,4,6,8,15H2,1H3/b11-9+
InChIKeyZXFDOBYVFIOKMC-PKNBQFBNSA-N
MW199.30 g/mol
LogP3.38
Rot. Bonds2

About 3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine

3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 155072944) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine
PubChem CID155072944
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine
SMILESC/C(=C\C1=CC=CC1)C1=CCCC(N)=C1
InChIInChI=1S/C14H17N/c1-11(9-12-5-2-3-6-12)13-7-4-8-14(15)10-13/h2-3,5,7,9-10H,4,6,8,15H2,1H3/b11-9+
InChIKeyZXFDOBYVFIOKMC-PKNBQFBNSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine with MolForge

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Related Compounds

3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid
CID 54195242
1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene
CID 163882415
3-iodocyclohexa-1,3-dien-1-amine
CID 163710281
ethyl (E)-2-cyano-3-cyclopenta-1,3-dien-1-ylprop-2-enoate
CID 153334352
(1E,3Z)-cycloocta-1,3-dien-1-amine
CID 22286865
1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene
CID 173425674
3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 138509304
(2E)-4-(cyclobutadienyl)-N-cyclobutyl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-oxobutanamide
CID 163853601
1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene
CID 154710057
cyclohepta-1,3,5-triene-1,3-dicarbaldehyde
CID 142377844
5-aminocyclohexa-1,5-diene-1-carbonitrile
CID 89191379
(2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one
CID 177495659

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine (CID 155072944) is 3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine is C/C(=C\C1=CC=CC1)C1=CCCC(N)=C1.
What is the InChIKey of 3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine?
The InChIKey is ZXFDOBYVFIOKMC-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H17N/c1-11(9-12-5-2-3-6-12)13-7-4-8-14(15)10-13/h2-3,5,7,9-10H,4,6,8,15H2,1H3/b11-9+.
What are the key properties of 3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine?
3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 199.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 155072944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).