2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid

C18H23N5O2 — CID 154324516

IUPAC2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid
SMILES[H]/N=C(\N)c1ccc2cc(C(CCCC)(N=C(N)N)C(=O)O)ccc2c1
InChIInChI=1S/C18H23N5O2/c1-2-3-8-18(16(24)25,23-17(21)22)14-7-6-11-9-13(15(19)20)5-4-12(11)10-14/h4-7,9-10H,2-3,8H2,1H3,(H3,19,20)(H,24,25)(H4,21,22,23)
InChIKeyLRXKQLLDWMLUJB-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.87
Rot. Bonds7

About 2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid

2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid (PubChem CID 154324516) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid.

Molecular Properties

Compound Name2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid
PubChem CID154324516
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid
SMILES[H]/N=C(\N)c1ccc2cc(C(CCCC)(N=C(N)N)C(=O)O)ccc2c1
InChIInChI=1S/C18H23N5O2/c1-2-3-8-18(16(24)25,23-17(21)22)14-7-6-11-9-13(15(19)20)5-4-12(11)10-14/h4-7,9-10H,2-3,8H2,1H3,(H3,19,20)(H,24,25)(H4,21,22,23)
InChIKeyLRXKQLLDWMLUJB-UHFFFAOYSA-N
XLogP1.87
TPSA151.57 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-carbamimidoylnaphthalen-2-yl)hexanoic acid
CID 172759822
(6-carbamimidoylnaphthalen-2-yl) octadecanoate
CID 13146240
(6-carbamimidoylnaphthalen-2-yl)methylsulfonyl octadecanoate
CID 57160258
(6-carbamimidoylnaphthalen-2-yl)methylsulfonyl decanoate
CID 88694163
4-hexanoylbenzenecarboximidamide
CID 57228852
6-methoxynaphthalene-2-carboximidamide
CID 3274917
4-butoxybenzenecarboximidamide
CID 3015454
(6-carbamimidoylnaphthalen-2-yl) (2E)-2-[[4-(diaminomethylideneamino)phenyl]methylidene]butanoate
CID 13176977
6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide
CID 11244460
methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate
CID 10904773
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083
ethyl 2-(6-carbamimidoylindol-1-yl)acetate;2,2,2-trifluoroacetic acid
CID 159826725

Frequently Asked Questions

What is the IUPAC name of 2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid?
The IUPAC name of 2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid (CID 154324516) is 2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid.
What is the SMILES notation for 2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid?
The canonical SMILES for 2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid is [H]/N=C(\N)c1ccc2cc(C(CCCC)(N=C(N)N)C(=O)O)ccc2c1.
What is the InChIKey of 2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid?
The InChIKey is LRXKQLLDWMLUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-3-8-18(16(24)25,23-17(21)22)14-7-6-11-9-13(15(19)20)5-4-12(11)10-14/h4-7,9-10H,2-3,8H2,1H3,(H3,19,20)(H,24,25)(H4,21,22,23).
What are the key properties of 2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid?
2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid has a molecular weight of 341.42 g/mol, XLogP of 1.87, 7 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-carbamimidoylnaphthalen-2-yl)-2-(diaminomethylideneamino)hexanoic acid is sourced from PubChem (CID 154324516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).