1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine

C21H25N3 — CID 18751587

IUPAC1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\C1CCCc2ccccc21)NC1CCCc2ccccc21
InChIInChI=1S/C21H25N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-4,7-8,11-12,19-20H,5-6,9-10,13-14H2,(H3,22,23,24)
InChIKeyHKQAANYYOSPWPM-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.05
Rot. Bonds2

About 1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine

1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 18751587) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine
PubChem CID18751587
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\C1CCCc2ccccc21)NC1CCCc2ccccc21
InChIInChI=1S/C21H25N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-4,7-8,11-12,19-20H,5-6,9-10,13-14H2,(H3,22,23,24)
InChIKeyHKQAANYYOSPWPM-UHFFFAOYSA-N
XLogP4.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.05
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

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
1-amino-3-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine
CID 116513428
1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine
CID 62378735
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
CID 177310658
1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 62304428
cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124670671
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 63042686
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 59415524
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 75064302
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine (CID 18751587) is 1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine is N/C(=N\C1CCCc2ccccc21)NC1CCCc2ccccc21.
What is the InChIKey of 1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is HKQAANYYOSPWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-4,7-8,11-12,19-20H,5-6,9-10,13-14H2,(H3,22,23,24).
What are the key properties of 1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine?
1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 319.45 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 18751587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).