1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine

C23H25N3 — CID 154448669

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine
SMILESC/N=C(\N)N(CC(C)c1ccccc1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H25N3/c1-16(17-7-4-3-5-8-17)15-26(23(24)25-2)21-14-13-19-12-11-18-9-6-10-20(21)22(18)19/h3-10,13-14,16H,11-12,15H2,1-2H3,(H2,24,25)
InChIKeyMGKZWSDRSKDOMX-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.49
Rot. Bonds4

About 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine

1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine (PubChem CID 154448669) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine
PubChem CID154448669
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine
SMILESC/N=C(\N)N(CC(C)c1ccccc1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H25N3/c1-16(17-7-4-3-5-8-17)15-26(23(24)25-2)21-14-13-19-12-11-18-9-6-10-20(21)22(18)19/h3-10,13-14,16H,11-12,15H2,1-2H3,(H2,24,25)
InChIKeyMGKZWSDRSKDOMX-UHFFFAOYSA-N
XLogP4.49
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
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

1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine
CID 18752250
1,2-bis(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine
CID 18751924
N-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine
CID 59308715
1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine
CID 22675796
1-(1,2-dihydroacenaphthylen-5-yl)-2-(3-iodophenyl)-1-methylguanidine
CID 18751807
1-(1,2-dihydroacenaphthylen-5-yl)-2-(1-phenoxypropan-2-yl)guanidine
CID 22675730
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid
CID 112758068
2-(4-butan-2-ylphenyl)-1-(1,2-dihydroacenaphthylen-3-yl)-1-methylguanidine
CID 18752036
2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide
CID 169369135
(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide
CID 100565265
1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
CID 54566292

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine (CID 154448669) is 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine is C/N=C(\N)N(CC(C)c1ccccc1)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine?
The InChIKey is MGKZWSDRSKDOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3/c1-16(17-7-4-3-5-8-17)15-26(23(24)25-2)21-14-13-19-12-11-18-9-6-10-20(21)22(18)19/h3-10,13-14,16H,11-12,15H2,1-2H3,(H2,24,25).
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine?
1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine has a molecular weight of 343.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine is sourced from PubChem (CID 154448669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).