[6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine

C19H27N3S — CID 144597145

IUPAC[6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine
SMILESCCCCCCc1ccc(/C=C/c2cc(CN)nc(CN)c2)s1
InChIInChI=1S/C19H27N3S/c1-2-3-4-5-6-18-9-10-19(23-18)8-7-15-11-16(13-20)22-17(12-15)14-21/h7-12H,2-6,13-14,20-21H2,1H3/b8-7+
InChIKeyPWULMGFDEHLIDP-BQYQJAHWSA-N
MW329.51 g/mol
LogP4.35
Rot. Bonds9

About [6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine

[6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine (PubChem CID 144597145) has the molecular formula C19H27N3S and a molecular weight of 329.51 g/mol. Its IUPAC name is [6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine
PubChem CID144597145
Molecular FormulaC19H27N3S
Molecular Weight329.51 g/mol
Exact Mass329.19
IUPAC Name[6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine
SMILESCCCCCCc1ccc(/C=C/c2cc(CN)nc(CN)c2)s1
InChIInChI=1S/C19H27N3S/c1-2-3-4-5-6-18-9-10-19(23-18)8-7-15-11-16(13-20)22-17(12-15)14-21/h7-12H,2-6,13-14,20-21H2,1H3/b8-7+
InChIKeyPWULMGFDEHLIDP-BQYQJAHWSA-N
XLogP4.35
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis[(1E,3E)-4-(5-hexylthiophen-2-yl)buta-1,3-dienyl]thiophene
CID 11049619
2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 59141205
(E)-3-(5-heptylthiophen-2-yl)prop-2-enoic acid
CID 15919237
2-ethenyl-5-hexylthiophene
CID 102047565
2,5-diheptylthiophene
CID 607114
4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-5-yl]pyridine
CID 140648751
2-dodecyl-5-ethylthiophene
CID 528251
(3Z,6Z)-3,6-bis[(5-octylthiophen-2-yl)methylidene]piperazine-2,5-dione
CID 118156859
(3Z,6Z)-3,6-bis[(5-hexylthiophen-2-yl)methylidene]piperazine-2,5-dione
CID 118156869
4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+);isothiocyanate
CID 153445630
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
(5-decylthiophen-2-yl)-trimethylstannane
CID 140863319

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine (CID 144597145) is [6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine is CCCCCCc1ccc(/C=C/c2cc(CN)nc(CN)c2)s1.
What is the InChIKey of [6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine?
The InChIKey is PWULMGFDEHLIDP-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H27N3S/c1-2-3-4-5-6-18-9-10-19(23-18)8-7-15-11-16(13-20)22-17(12-15)14-21/h7-12H,2-6,13-14,20-21H2,1H3/b8-7+.
What are the key properties of [6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine?
[6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine has a molecular weight of 329.51 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 144597145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).