2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine

C23H20N4 — CID 18751648

IUPAC2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
SMILESN/C(=N\c1c(N)ccc2ccccc12)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H20N4/c24-19-12-10-14-4-1-2-6-17(14)22(19)27-23(25)26-20-13-11-16-9-8-15-5-3-7-18(20)21(15)16/h1-7,10-13H,8-9,24H2,(H3,25,26,27)
InChIKeyNQOJFIZZAQRMAC-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.73
Rot. Bonds2

About 2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine

2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine (PubChem CID 18751648) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine.

Molecular Properties

Compound Name2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
PubChem CID18751648
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
SMILESN/C(=N\c1c(N)ccc2ccccc12)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H20N4/c24-19-12-10-14-4-1-2-6-17(14)22(19)27-23(25)26-20-13-11-16-9-8-15-5-3-7-18(20)21(15)16/h1-7,10-13H,8-9,24H2,(H3,25,26,27)
InChIKeyNQOJFIZZAQRMAC-UHFFFAOYSA-N
XLogP4.73
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dihydroacenaphthylen-5-ylthiourea
CID 851719
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CID 15284382
N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide
CID 5070082
1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine
CID 22675730
2-(7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
CID 149150181
N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide
CID 100511475
2-(1,2-dihydroacenaphthylen-5-yl)aniline
CID 114939446
7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
CID 119697802
N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide
CID 18122028
1,2-dihydroacenaphthylen-3-amine;hydrobromide
CID 158935493
(2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide
CID 120785060
2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
CID 800367

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine?
The IUPAC name of 2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine (CID 18751648) is 2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine.
What is the SMILES notation for 2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine?
The canonical SMILES for 2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine is N/C(=N\c1c(N)ccc2ccccc12)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine?
The InChIKey is NQOJFIZZAQRMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c24-19-12-10-14-4-1-2-6-17(14)22(19)27-23(25)26-20-13-11-16-9-8-15-5-3-7-18(20)21(15)16/h1-7,10-13H,8-9,24H2,(H3,25,26,27).
What are the key properties of 2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine?
2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine has a molecular weight of 352.44 g/mol, XLogP of 4.73, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine is sourced from PubChem (CID 18751648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).