8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide

C30H33N3O — CID 10195171

IUPAC8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(C3CC3c3ccc4c(c3)C(C(C)C)=NCC4)cc(/C=C/COC)c2c1
InChIInChI=1S/C30H33N3O/c1-18(2)29-28-15-22(7-6-19(28)10-11-33-29)26-17-27(26)24-13-20(5-4-12-34-3)25-16-23(30(31)32)9-8-21(25)14-24/h4-9,13-16,18,26-27H,10-12,17H2,1-3H3,(H3,31,32)/b5-4+
InChIKeyAZSOOHAYAVTJHF-SNAWJCMRSA-N
MW451.61 g/mol
LogP6.06
Rot. Bonds7

About 8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide

8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide (PubChem CID 10195171) has the molecular formula C30H33N3O and a molecular weight of 451.61 g/mol. Its IUPAC name is 8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
PubChem CID10195171
Molecular FormulaC30H33N3O
Molecular Weight451.61 g/mol
Exact Mass451.26
IUPAC Name8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(C3CC3c3ccc4c(c3)C(C(C)C)=NCC4)cc(/C=C/COC)c2c1
InChIInChI=1S/C30H33N3O/c1-18(2)29-28-15-22(7-6-19(28)10-11-33-29)26-17-27(26)24-13-20(5-4-12-34-3)25-16-23(30(31)32)9-8-21(25)14-24/h4-9,13-16,18,26-27H,10-12,17H2,1-3H3,(H3,31,32)/b5-4+
InChIKeyAZSOOHAYAVTJHF-SNAWJCMRSA-N
XLogP6.06
TPSA71.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
CID 10156588
6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
CID 10271320
6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide
CID 10296843
N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
CID 10277586
6-methoxynaphthalene-2-carboximidamide
CID 3274917
6-propan-2-ylnaphthalene-2-carboximidamide
CID 138525860
7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-ylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide
CID 10345176
(6-carbamimidoylnaphthalen-2-yl) methanesulfonate
CID 13050560
methyl 7-[(E)-2-(6-carbamimidoylnaphthalen-2-yl)ethenyl]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 10159579
6-[2-(1-benzyl-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropyl]naphthalene-2-carboximidamide
CID 10298221
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide
CID 114769116
2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide
CID 54946566

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?
The IUPAC name of 8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide (CID 10195171) is 8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide.
What is the SMILES notation for 8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?
The canonical SMILES for 8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2cc(C3CC3c3ccc4c(c3)C(C(C)C)=NCC4)cc(/C=C/COC)c2c1.
What is the InChIKey of 8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?
The InChIKey is AZSOOHAYAVTJHF-SNAWJCMRSA-N. The full InChI is InChI=1S/C30H33N3O/c1-18(2)29-28-15-22(7-6-19(28)10-11-33-29)26-17-27(26)24-13-20(5-4-12-34-3)25-16-23(30(31)32)9-8-21(25)14-24/h4-9,13-16,18,26-27H,10-12,17H2,1-3H3,(H3,31,32)/b5-4+.
What are the key properties of 8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?
8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide has a molecular weight of 451.61 g/mol, XLogP of 6.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 10195171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).