N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide

C10H21N3O — CID 122547941

IUPACN-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide
SMILESCC(=O)NC[C@H](C)CCC/N=C(\C)N
InChIInChI=1S/C10H21N3O/c1-8(7-13-10(3)14)5-4-6-12-9(2)11/h8H,4-7H2,1-3H3,(H2,11,12)(H,13,14)/t8-/m1/s1
InChIKeyLVBFRQNOUWVJAQ-MRVPVSSYSA-N
MW199.30 g/mol
LogP0.92
Rot. Bonds6

About N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide

N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide (PubChem CID 122547941) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide
PubChem CID122547941
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide
SMILESCC(=O)NC[C@H](C)CCC/N=C(\C)N
InChIInChI=1S/C10H21N3O/c1-8(7-13-10(3)14)5-4-6-12-9(2)11/h8H,4-7H2,1-3H3,(H2,11,12)(H,13,14)/t8-/m1/s1
InChIKeyLVBFRQNOUWVJAQ-MRVPVSSYSA-N
XLogP0.92
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide?
The IUPAC name of N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide (CID 122547941) is N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide.
What is the SMILES notation for N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide?
The canonical SMILES for N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide is CC(=O)NC[C@H](C)CCC/N=C(\C)N.
What is the InChIKey of N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide?
The InChIKey is LVBFRQNOUWVJAQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(7-13-10(3)14)5-4-6-12-9(2)11/h8H,4-7H2,1-3H3,(H2,11,12)(H,13,14)/t8-/m1/s1.
What are the key properties of N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide?
N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide has a molecular weight of 199.30 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-(1-aminoethylideneamino)-2-methylpentyl]acetamide is sourced from PubChem (CID 122547941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).