N-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine

C19H34N4O — CID 59387922

IUPACN-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine
SMILESCN1C[C@@](CCC2CCCCC2)(C[C@@H]2CCCC(=NO)C2)N=C1N
InChIInChI=1S/C19H34N4O/c1-23-14-19(21-18(23)20,11-10-15-6-3-2-4-7-15)13-16-8-5-9-17(12-16)22-24/h15-16,24H,2-14H2,1H3,(H2,20,21)/t16-,19-/m1/s1
InChIKeyAUJIXVDBCBEVGG-VQIMIIECSA-N
MW334.51 g/mol
LogP3.76
Rot. Bonds5

About N-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine

N-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine (PubChem CID 59387922) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is N-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine
PubChem CID59387922
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC NameN-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine
SMILESCN1C[C@@](CCC2CCCCC2)(C[C@@H]2CCCC(=NO)C2)N=C1N
InChIInChI=1S/C19H34N4O/c1-23-14-19(21-18(23)20,11-10-15-6-3-2-4-7-15)13-16-8-5-9-17(12-16)22-24/h15-16,24H,2-14H2,1H3,(H2,20,21)/t16-,19-/m1/s1
InChIKeyAUJIXVDBCBEVGG-VQIMIIECSA-N
XLogP3.76
TPSA74.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine?
The IUPAC name of N-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine (CID 59387922) is N-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine.
What is the SMILES notation for N-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine?
The canonical SMILES for N-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine is CN1C[C@@](CCC2CCCCC2)(C[C@@H]2CCCC(=NO)C2)N=C1N.
What is the InChIKey of N-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine?
The InChIKey is AUJIXVDBCBEVGG-VQIMIIECSA-N. The full InChI is InChI=1S/C19H34N4O/c1-23-14-19(21-18(23)20,11-10-15-6-3-2-4-7-15)13-16-8-5-9-17(12-16)22-24/h15-16,24H,2-14H2,1H3,(H2,20,21)/t16-,19-/m1/s1.
What are the key properties of N-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine?
N-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine has a molecular weight of 334.51 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-[[(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-4H-imidazol-5-yl]methyl]cyclohexylidene]hydroxylamine is sourced from PubChem (CID 59387922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).