1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride

C14H18ClN5 — CID 175013889

IUPAC1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride
SMILESCC(/N=C(\N)N=C(N)N)c1cccc2ccccc12.Cl
InChIInChI=1S/C14H17N5.ClH/c1-9(18-14(17)19-13(15)16)11-8-4-6-10-5-2-3-7-12(10)11;/h2-9H,1H3,(H6,15,16,17,18,19);1H
InChIKeyGDKUZKAFGPQGOR-UHFFFAOYSA-N
MW291.79 g/mol
LogP1.91
Rot. Bonds2

About 1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride

1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride (PubChem CID 175013889) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride
PubChem CID175013889
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride
SMILESCC(/N=C(\N)N=C(N)N)c1cccc2ccccc12.Cl
InChIInChI=1S/C14H17N5.ClH/c1-9(18-14(17)19-13(15)16)11-8-4-6-10-5-2-3-7-12(10)11;/h2-9H,1H3,(H6,15,16,17,18,19);1H
InChIKeyGDKUZKAFGPQGOR-UHFFFAOYSA-N
XLogP1.91
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 51.91
H-Bond Donors ≤ 53
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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CID 5000934
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CID 90898908
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
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3-naphthalen-1-ylbutane-1,2-diamine
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CID 158157747
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine
CID 139081062
1-naphthalen-1-ylethyl carbamate
CID 14959373
CID 174906138
CID 174906138

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride (CID 175013889) is 1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride is CC(/N=C(\N)N=C(N)N)c1cccc2ccccc12.Cl.
What is the InChIKey of 1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride?
The InChIKey is GDKUZKAFGPQGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5.ClH/c1-9(18-14(17)19-13(15)16)11-8-4-6-10-5-2-3-7-12(10)11;/h2-9H,1H3,(H6,15,16,17,18,19);1H.
What are the key properties of 1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride?
1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride has a molecular weight of 291.79 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride is sourced from PubChem (CID 175013889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).