[6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine

C14H16N2 — CID 166911351

IUPAC[6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine
SMILESC=C(/C=C\C)c1ccc2c(CN)c[nH]c2c1
InChIInChI=1S/C14H16N2/c1-3-4-10(2)11-5-6-13-12(8-15)9-16-14(13)7-11/h3-7,9,16H,2,8,15H2,1H3/b4-3-
InChIKeyMQLDRZQHCZXFKB-ARJAWSKDSA-N
MW212.30 g/mol
LogP3.22
Rot. Bonds3

About [6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine

[6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine (PubChem CID 166911351) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is [6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine.

Molecular Properties

Compound Name[6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine
PubChem CID166911351
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name[6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine
SMILESC=C(/C=C\C)c1ccc2c(CN)c[nH]c2c1
InChIInChI=1S/C14H16N2/c1-3-4-10(2)11-5-6-13-12(8-15)9-16-14(13)7-11/h3-7,9,16H,2,8,15H2,1H3/b4-3-
InChIKeyMQLDRZQHCZXFKB-ARJAWSKDSA-N
XLogP3.22
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

3-(aminomethyl)-5-methoxy-1H-indol-6-ol
CID 83877998
3-[(E)-pent-2-en-3-yl]-6-prop-1-en-2-yl-1H-indole
CID 143523515
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145
(3-ethyl-1H-indol-6-yl)methanamine
CID 115014328
methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate
CID 20768833
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
(5-bromo-6-methoxy-1H-indol-3-yl)methanamine
CID 83901054
1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene
CID 144724093
[3-(methylaminomethyl)-1H-indol-6-yl]methanamine
CID 117178238
3-hexadecyl-1H-indole-6-carboxylic acid
CID 12797258

Frequently Asked Questions

What is the IUPAC name of [6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine?
The IUPAC name of [6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine (CID 166911351) is [6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine.
What is the SMILES notation for [6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine?
The canonical SMILES for [6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine is C=C(/C=C\C)c1ccc2c(CN)c[nH]c2c1.
What is the InChIKey of [6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine?
The InChIKey is MQLDRZQHCZXFKB-ARJAWSKDSA-N. The full InChI is InChI=1S/C14H16N2/c1-3-4-10(2)11-5-6-13-12(8-15)9-16-14(13)7-11/h3-7,9,16H,2,8,15H2,1H3/b4-3-.
What are the key properties of [6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine?
[6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine has a molecular weight of 212.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3Z)-penta-1,3-dien-2-yl]-1H-indol-3-yl]methanamine is sourced from PubChem (CID 166911351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).