N'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide

C26H25N3 — CID 145180219

IUPACN'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide
SMILES[H]/N=C(C)\N=C(/c1ccc2ccccc2c1)N(C)C(C)c1ccc2ccccc2c1
InChIInChI=1S/C26H25N3/c1-18(22-14-12-20-8-4-6-10-23(20)16-22)29(3)26(28-19(2)27)25-15-13-21-9-5-7-11-24(21)17-25/h4-18,27H,1-3H3/b27-19-,28-26+
InChIKeyQNQINDYECVHEOQ-WYKZTKDVSA-N
MW379.51 g/mol
LogP6.43
Rot. Bonds3

About N'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide

N'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide (PubChem CID 145180219) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is N'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide.

Molecular Properties

Compound NameN'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide
PubChem CID145180219
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC NameN'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide
SMILES[H]/N=C(C)\N=C(/c1ccc2ccccc2c1)N(C)C(C)c1ccc2ccccc2c1
InChIInChI=1S/C26H25N3/c1-18(22-14-12-20-8-4-6-10-23(20)16-22)29(3)26(28-19(2)27)25-15-13-21-9-5-7-11-24(21)17-25/h4-18,27H,1-3H3/b27-19-,28-26+
InChIKeyQNQINDYECVHEOQ-WYKZTKDVSA-N
XLogP6.43
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 56.43
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

N-methyl-N-(1-naphthalen-2-ylethyl)hydroxylamine
CID 134925805
N-chloro-N-methyl-1-naphthalen-2-ylethanamine
CID 135010068
ethane;2-propan-2-ylnaphthalene
CID 142226111
6-propan-2-ylnaphthalene-2-carboximidamide
CID 138525860
N-cyano-N'-(3,5-dibromobenzenecarboximidoyl)-N-methylnaphthalene-2-carboximidamide
CID 155207416
3-[1-naphthalen-2-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057412
1-naphthalen-2-ylethylphosphonous acid
CID 145437029
[(1S)-1-naphthalen-2-ylethyl]azanium chloride
CID 155931519
2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid
CID 65072356
2-propan-2-ylpentacene
CID 153380535
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
2-(dinaphthalen-2-ylmethyl)naphthalene;ethane;naphthalene;bis(2-(1-naphthalen-2-ylethyl)naphthalene)
CID 158656966

Frequently Asked Questions

What is the IUPAC name of N'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide?
The IUPAC name of N'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide (CID 145180219) is N'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide.
What is the SMILES notation for N'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide?
The canonical SMILES for N'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide is [H]/N=C(C)\N=C(/c1ccc2ccccc2c1)N(C)C(C)c1ccc2ccccc2c1.
What is the InChIKey of N'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide?
The InChIKey is QNQINDYECVHEOQ-WYKZTKDVSA-N. The full InChI is InChI=1S/C26H25N3/c1-18(22-14-12-20-8-4-6-10-23(20)16-22)29(3)26(28-19(2)27)25-15-13-21-9-5-7-11-24(21)17-25/h4-18,27H,1-3H3/b27-19-,28-26+.
What are the key properties of N'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide?
N'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide has a molecular weight of 379.51 g/mol, XLogP of 6.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide is sourced from PubChem (CID 145180219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).