N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide

C14H29N3O2 — CID 54991592

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide
SMILESCC(CC(=O)N(C)CC(C)/C(N)=N/O)CC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-10(8-14(3,4)5)7-12(18)17(6)9-11(2)13(15)16-19/h10-11,19H,7-9H2,1-6H3,(H2,15,16)
InChIKeyUPWHCMQCTMWWEJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.29
Rot. Bonds6

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide (PubChem CID 54991592) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide
PubChem CID54991592
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide
SMILESCC(CC(=O)N(C)CC(C)/C(N)=N/O)CC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-10(8-14(3,4)5)7-12(18)17(6)9-11(2)13(15)16-19/h10-11,19H,7-9H2,1-6H3,(H2,15,16)
InChIKeyUPWHCMQCTMWWEJ-UHFFFAOYSA-N
XLogP2.29
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide (CID 54991592) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide is CC(CC(=O)N(C)CC(C)/C(N)=N/O)CC(C)(C)C.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide?
The InChIKey is UPWHCMQCTMWWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-10(8-14(3,4)5)7-12(18)17(6)9-11(2)13(15)16-19/h10-11,19H,7-9H2,1-6H3,(H2,15,16).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide has a molecular weight of 271.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide is sourced from PubChem (CID 54991592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).