6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine

C12H27N2O2P — CID 143831632

IUPAC6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine
SMILESCCOP(CCCCCCN)N1CCCCO1
InChIInChI=1S/C12H27N2O2P/c1-2-16-17(12-8-4-3-5-9-13)14-10-6-7-11-15-14/h2-13H2,1H3
InChIKeyGMDPWBAYUNWGNK-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.88
Rot. Bonds9

About 6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine

6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine (PubChem CID 143831632) has the molecular formula C12H27N2O2P and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine.

Molecular Properties

Compound Name6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine
PubChem CID143831632
Molecular FormulaC12H27N2O2P
Molecular Weight262.33 g/mol
Exact Mass262.18
IUPAC Name6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine
SMILESCCOP(CCCCCCN)N1CCCCO1
InChIInChI=1S/C12H27N2O2P/c1-2-16-17(12-8-4-3-5-9-13)14-10-6-7-11-15-14/h2-13H2,1H3
InChIKeyGMDPWBAYUNWGNK-UHFFFAOYSA-N
XLogP2.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-diethoxyphosphanylbutan-1-amine
CID 143917073
5-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 62458957
2-(oxazepan-2-yl)ethanamine
CID 130118341
pentan-1-amine;phosphane;sulfane
CID 174645981
5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65176193
1-methylpiperidine;pentan-1-amine;hydrate
CID 175112492
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
CID 65176138
2-methyl-2-(oxazinan-2-yl)propan-1-amine
CID 104523215
hexane-1,6-diamine;methanamine
CID 174275715
cyclohexane;pentan-1-amine
CID 67995993

Frequently Asked Questions

What is the IUPAC name of 6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine?
The IUPAC name of 6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine (CID 143831632) is 6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine.
What is the SMILES notation for 6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine?
The canonical SMILES for 6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine is CCOP(CCCCCCN)N1CCCCO1.
What is the InChIKey of 6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine?
The InChIKey is GMDPWBAYUNWGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N2O2P/c1-2-16-17(12-8-4-3-5-9-13)14-10-6-7-11-15-14/h2-13H2,1H3.
What are the key properties of 6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine?
6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine has a molecular weight of 262.33 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine is sourced from PubChem (CID 143831632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).