N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine

C14H29N3O2 — CID 142657527

IUPACN-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine
SMILESCCCCC(CCCCCCCC(CN)=NO)=NO
InChIInChI=1S/C14H29N3O2/c1-2-3-9-13(16-18)10-7-5-4-6-8-11-14(12-15)17-19/h18-19H,2-12,15H2,1H3
InChIKeyZLKAANQTCCAWPC-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.53
Rot. Bonds12

About N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine

N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine (PubChem CID 142657527) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine
PubChem CID142657527
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine
SMILESCCCCC(CCCCCCCC(CN)=NO)=NO
InChIInChI=1S/C14H29N3O2/c1-2-3-9-13(16-18)10-7-5-4-6-8-11-14(12-15)17-19/h18-19H,2-12,15H2,1H3
InChIKeyZLKAANQTCCAWPC-UHFFFAOYSA-N
XLogP3.53
TPSA91.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine?
The IUPAC name of N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine (CID 142657527) is N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine is CCCCC(CCCCCCCC(CN)=NO)=NO.
What is the InChIKey of N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine?
The InChIKey is ZLKAANQTCCAWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-2-3-9-13(16-18)10-7-5-4-6-8-11-14(12-15)17-19/h18-19H,2-12,15H2,1H3.
What are the key properties of N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine?
N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine has a molecular weight of 271.40 g/mol, XLogP of 3.53, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine is sourced from PubChem (CID 142657527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).