4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide

C14H17N3O — CID 114088595

IUPAC4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CCO)c2ccccc12
InChIInChI=1S/C14H17N3O/c1-17(8-9-18)13-7-6-12(14(15)16)10-4-2-3-5-11(10)13/h2-7,18H,8-9H2,1H3,(H3,15,16)
InChIKeyCATZQGFLHMOHNT-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.55
Rot. Bonds4

About 4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide

4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide (PubChem CID 114088595) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide.

Molecular Properties

Compound Name4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide
PubChem CID114088595
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CCO)c2ccccc12
InChIInChI=1S/C14H17N3O/c1-17(8-9-18)13-7-6-12(14(15)16)10-4-2-3-5-11(10)13/h2-7,18H,8-9H2,1H3,(H3,15,16)
InChIKeyCATZQGFLHMOHNT-UHFFFAOYSA-N
XLogP1.55
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63694371
2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110059
2-chloro-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 62948368
2-bromo-3-fluoro-4-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107536617
2-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83157429
2-bromo-3-fluoro-4-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 107536523
4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200134
2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 62308815
4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 65486843
2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81303220
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 62334639

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide?
The IUPAC name of 4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide (CID 114088595) is 4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide.
What is the SMILES notation for 4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide?
The canonical SMILES for 4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide is [H]/N=C(\N)c1ccc(N(C)CCO)c2ccccc12.
What is the InChIKey of 4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide?
The InChIKey is CATZQGFLHMOHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(8-9-18)13-7-6-12(14(15)16)10-4-2-3-5-11(10)13/h2-7,18H,8-9H2,1H3,(H3,15,16).
What are the key properties of 4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide?
4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide has a molecular weight of 243.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide is sourced from PubChem (CID 114088595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).