(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine

C25H30N2O — CID 145136106

IUPAC(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine
SMILESCCc1cncc(-c2cc3ccccc3o2)c1/C=C(\C)NCC1CCCCC1
InChIInChI=1S/C25H30N2O/c1-3-20-16-26-17-23(25-14-21-11-7-8-12-24(21)28-25)22(20)13-18(2)27-15-19-9-5-4-6-10-19/h7-8,11-14,16-17,19,27H,3-6,9-10,15H2,1-2H3/b18-13+
InChIKeySFXRLKUEXYWHPF-QGOAFFKASA-N
MW374.53 g/mol
LogP6.59
Rot. Bonds6

About (E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine

(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine (PubChem CID 145136106) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is (E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine
PubChem CID145136106
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine
SMILESCCc1cncc(-c2cc3ccccc3o2)c1/C=C(\C)NCC1CCCCC1
InChIInChI=1S/C25H30N2O/c1-3-20-16-26-17-23(25-14-21-11-7-8-12-24(21)28-25)22(20)13-18(2)27-15-19-9-5-4-6-10-19/h7-8,11-14,16-17,19,27H,3-6,9-10,15H2,1-2H3/b18-13+
InChIKeySFXRLKUEXYWHPF-QGOAFFKASA-N
XLogP6.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine with MolForge

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Related Compounds

N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide
CID 145136245
4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol
CID 145136125
4-(1-benzofuran-2-yl)-8-chloro-N-cyclohexylisoquinolin-6-amine;tert-butyl carbamate;ethane
CID 145136231
[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol
CID 122457435
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide
CID 122495279
tert-butyl N-[4-[2-[4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]ethyl]cycloheptyl]carbamate
CID 163532019
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
N-cyclohexyl-N-ethyl-1-benzofuran-2-carboxamide
CID 60592186
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615
(2R)-2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide
CID 92656713
[1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperidin-4-yl]carbamic acid
CID 122457727

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine?
The IUPAC name of (E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine (CID 145136106) is (E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine.
What is the SMILES notation for (E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine?
The canonical SMILES for (E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine is CCc1cncc(-c2cc3ccccc3o2)c1/C=C(\C)NCC1CCCCC1.
What is the InChIKey of (E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine?
The InChIKey is SFXRLKUEXYWHPF-QGOAFFKASA-N. The full InChI is InChI=1S/C25H30N2O/c1-3-20-16-26-17-23(25-14-21-11-7-8-12-24(21)28-25)22(20)13-18(2)27-15-19-9-5-4-6-10-19/h7-8,11-14,16-17,19,27H,3-6,9-10,15H2,1-2H3/b18-13+.
What are the key properties of (E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine?
(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine has a molecular weight of 374.53 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine is sourced from PubChem (CID 145136106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).