formic acid;4-(4-methylpentyl)morpholine

C11H23NO3 — CID 172564161

IUPACformic acid;4-(4-methylpentyl)morpholine
SMILESCC(C)CCCN1CCOCC1.O=CO
InChIInChI=1S/C10H21NO.CH2O2/c1-10(2)4-3-5-11-6-8-12-9-7-11;2-1-3/h10H,3-9H2,1-2H3;1H,(H,2,3)
InChIKeyIWJGVSSYJTUSER-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.46
Rot. Bonds4

About formic acid;4-(4-methylpentyl)morpholine

formic acid;4-(4-methylpentyl)morpholine (PubChem CID 172564161) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is formic acid;4-(4-methylpentyl)morpholine.

Molecular Properties

Compound Nameformic acid;4-(4-methylpentyl)morpholine
PubChem CID172564161
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameformic acid;4-(4-methylpentyl)morpholine
SMILESCC(C)CCCN1CCOCC1.O=CO
InChIInChI=1S/C10H21NO.CH2O2/c1-10(2)4-3-5-11-6-8-12-9-7-11;2-1-3/h10H,3-9H2,1-2H3;1H,(H,2,3)
InChIKeyIWJGVSSYJTUSER-UHFFFAOYSA-N
XLogP1.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylpentyl)morpholine;N,N,2-trimethylpropan-1-amine
CID 142615810
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
4-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 61044634
N,N-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine
CID 176932414
(Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one
CID 165399164
(3S)-3-methyl-6-morpholin-4-ylhexan-1-ol
CID 174809295
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
4-ethylmorpholine;formic acid
CID 158286088
4-(3-methylbutyl)morpholine;2-[4-(3-methylbutyl)piperazin-1-yl]ethanol;4-(5-methylhexyl)morpholine;2-[4-(5-methylhexyl)piperazin-1-yl]ethanol;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(5-methylhexyl)piperazine;1-methyl-4-(4-methylpentyl)piperazine;4-(4-methylpentyl)morpholine;2-[4-(4-methylpentyl)piperazin-1-yl]ethanol
CID 160974894
2-methyl-1-(5-methylhexyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111580092
4-(4-methylnonyl)morpholine
CID 170444016
1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine
CID 82534956

Frequently Asked Questions

What is the IUPAC name of formic acid;4-(4-methylpentyl)morpholine?
The IUPAC name of formic acid;4-(4-methylpentyl)morpholine (CID 172564161) is formic acid;4-(4-methylpentyl)morpholine.
What is the SMILES notation for formic acid;4-(4-methylpentyl)morpholine?
The canonical SMILES for formic acid;4-(4-methylpentyl)morpholine is CC(C)CCCN1CCOCC1.O=CO.
What is the InChIKey of formic acid;4-(4-methylpentyl)morpholine?
The InChIKey is IWJGVSSYJTUSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.CH2O2/c1-10(2)4-3-5-11-6-8-12-9-7-11;2-1-3/h10H,3-9H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;4-(4-methylpentyl)morpholine?
formic acid;4-(4-methylpentyl)morpholine has a molecular weight of 217.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-(4-methylpentyl)morpholine is sourced from PubChem (CID 172564161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).