1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one

C15H33N2OP — CID 161067013

IUPAC1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one
SMILESCCCC(C)=O.CN1CCCCC1.CN1CCPC1
InChIInChI=1S/C6H13N.C5H10O.C4H10NP/c1-7-5-3-2-4-6-7;1-3-4-5(2)6;1-5-2-3-6-4-5/h2-6H2,1H3;3-4H2,1-2H3;6H,2-4H2,1H3
InChIKeyUEDRZEAVTYSHAZ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.05
Rot. Bonds2

About 1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one

1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one (PubChem CID 161067013) has the molecular formula C15H33N2OP and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one.

Molecular Properties

Compound Name1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one
PubChem CID161067013
Molecular FormulaC15H33N2OP
Molecular Weight288.42 g/mol
Exact Mass288.23
IUPAC Name1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one
SMILESCCCC(C)=O.CN1CCCCC1.CN1CCPC1
InChIInChI=1S/C6H13N.C5H10O.C4H10NP/c1-7-5-3-2-4-6-7;1-3-4-5(2)6;1-5-2-3-6-4-5/h2-6H2,1H3;3-4H2,1-2H3;6H,2-4H2,1H3
InChIKeyUEDRZEAVTYSHAZ-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 174766041
pentan-2-one;zinc
CID 88629307
butane;1-methylpyrrolidine
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oxetane;pentan-2-one
CID 159710624
4-(4-methyl-1,4-diazepan-1-yl)butan-2-one
CID 28830199
pentan-2-one;propanoic acid
CID 162011313
CID 171375174
CID 171375174
CID 158726547
CID 158726547
butane-2,3-dione;pentan-2-one
CID 160941626
tris(butan-2-one);tris(pentan-2-one)
CID 157203121
methyl acetate;1-methylazepane
CID 54536864
oxolane;pentan-2-one
CID 174917924

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one?
The IUPAC name of 1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one (CID 161067013) is 1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one.
What is the SMILES notation for 1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one?
The canonical SMILES for 1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one is CCCC(C)=O.CN1CCCCC1.CN1CCPC1.
What is the InChIKey of 1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one?
The InChIKey is UEDRZEAVTYSHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H10O.C4H10NP/c1-7-5-3-2-4-6-7;1-3-4-5(2)6;1-5-2-3-6-4-5/h2-6H2,1H3;3-4H2,1-2H3;6H,2-4H2,1H3.
What are the key properties of 1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one?
1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one has a molecular weight of 288.42 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-azaphospholidine;1-methylpiperidine;pentan-2-one is sourced from PubChem (CID 161067013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).