N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide

C14H29N3O2 — CID 54992415

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide
SMILESCCN(CC/C(N)=N/O)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-6-17(8-7-12(15)16-19)13(18)9-11(2)10-14(3,4)5/h11,19H,6-10H2,1-5H3,(H2,15,16)
InChIKeyDQHXFNPVNZUGHT-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.43
Rot. Bonds7

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide (PubChem CID 54992415) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide
PubChem CID54992415
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide
SMILESCCN(CC/C(N)=N/O)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-6-17(8-7-12(15)16-19)13(18)9-11(2)10-14(3,4)5/h11,19H,6-10H2,1-5H3,(H2,15,16)
InChIKeyDQHXFNPVNZUGHT-UHFFFAOYSA-N
XLogP2.43
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.43
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-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide (CID 54992415) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide is CCN(CC/C(N)=N/O)C(=O)CC(C)CC(C)(C)C.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide?
The InChIKey is DQHXFNPVNZUGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-6-17(8-7-12(15)16-19)13(18)9-11(2)10-14(3,4)5/h11,19H,6-10H2,1-5H3,(H2,15,16).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide has a molecular weight of 271.40 g/mol, XLogP of 2.43, 7 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-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide is sourced from PubChem (CID 54992415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).