(2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine

C14H16N2 — CID 167244091

IUPAC(2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine
SMILESC/C=C\C(=C(/C)N)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H16N2/c1-3-6-12(10(2)15)14-9-11-7-4-5-8-13(11)16-14/h3-9,16H,15H2,1-2H3/b6-3-,12-10-
InChIKeyUXPODYJCJGCLCC-KDNURZQZSA-N
MW212.30 g/mol
LogP3.43
Rot. Bonds2

About (2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine

(2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine (PubChem CID 167244091) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine
PubChem CID167244091
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine
SMILESC/C=C\C(=C(/C)N)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H16N2/c1-3-6-12(10(2)15)14-9-11-7-4-5-8-13(11)16-14/h3-9,16H,15H2,1-2H3/b6-3-,12-10-
InChIKeyUXPODYJCJGCLCC-KDNURZQZSA-N
XLogP3.43
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole
CID 155367147
N'-amino-1H-indole-2-carboximidamide
CID 136649421
1-[4-(1H-indole-2-carbonyl)phenyl]ethanone
CID 139733709
ethane;1H-indole-2-carboxylic acid
CID 91052830
CID 58100929
CID 58100929
(E)-4-(1H-indol-2-yl)-4-oxobut-2-enoic acid
CID 12618365
2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole
CID 141243954
1H-indole-2-carbothioic S-acid
CID 4713092
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole
CID 134967037
2-but-1-en-2-yl-1H-indole
CID 23105124
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine (CID 167244091) is (2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine is C/C=C\C(=C(/C)N)c1cc2ccccc2[nH]1.
What is the InChIKey of (2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine?
The InChIKey is UXPODYJCJGCLCC-KDNURZQZSA-N. The full InChI is InChI=1S/C14H16N2/c1-3-6-12(10(2)15)14-9-11-7-4-5-8-13(11)16-14/h3-9,16H,15H2,1-2H3/b6-3-,12-10-.
What are the key properties of (2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine?
(2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine has a molecular weight of 212.30 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine is sourced from PubChem (CID 167244091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).