2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine

C30H29N3 — CID 149150181

IUPAC2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
SMILESN/C(=N\C1CCCc2ccc(Cc3ccccc3)cc21)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C30H29N3/c31-30(33-28-17-16-24-15-14-23-9-4-10-25(28)29(23)24)32-27-11-5-8-22-13-12-21(19-26(22)27)18-20-6-2-1-3-7-20/h1-4,6-7,9-10,12-13,16-17,19,27H,5,8,11,14-15,18H2,(H3,31,32,33)
InChIKeyJPRQJJCGKUWZRQ-UHFFFAOYSA-N
MW431.58 g/mol
LogP6.33
Rot. Bonds4

About 2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine

2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine (PubChem CID 149150181) has the molecular formula C30H29N3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine.

Molecular Properties

Compound Name2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
PubChem CID149150181
Molecular FormulaC30H29N3
Molecular Weight431.58 g/mol
Exact Mass431.24
IUPAC Name2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
SMILESN/C(=N\C1CCCc2ccc(Cc3ccccc3)cc21)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C30H29N3/c31-30(33-28-17-16-24-15-14-23-9-4-10-25(28)29(23)24)32-27-11-5-8-22-13-12-21(19-26(22)27)18-20-6-2-1-3-7-20/h1-4,6-7,9-10,12-13,16-17,19,27H,5,8,11,14-15,18H2,(H3,31,32,33)
InChIKeyJPRQJJCGKUWZRQ-UHFFFAOYSA-N
XLogP6.33
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

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1,2-dihydroacenaphthylen-5-ylthiourea
CID 851719
1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine
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(2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide
CID 120785060
N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946726
N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide
CID 134031739
2-(2-adamantyl)-1-(1-oxo-2H-acenaphthylen-5-yl)guanidine
CID 18751627
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide
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N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine?
The IUPAC name of 2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine (CID 149150181) is 2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine.
What is the SMILES notation for 2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine?
The canonical SMILES for 2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine is N/C(=N\C1CCCc2ccc(Cc3ccccc3)cc21)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine?
The InChIKey is JPRQJJCGKUWZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3/c31-30(33-28-17-16-24-15-14-23-9-4-10-25(28)29(23)24)32-27-11-5-8-22-13-12-21(19-26(22)27)18-20-6-2-1-3-7-20/h1-4,6-7,9-10,12-13,16-17,19,27H,5,8,11,14-15,18H2,(H3,31,32,33).
What are the key properties of 2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine?
2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine has a molecular weight of 431.58 g/mol, XLogP of 6.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine is sourced from PubChem (CID 149150181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).