formic acid;N-methyl-N-propan-2-ylhexan-1-amine

C11H25NO2 — CID 169177535

IUPACformic acid;N-methyl-N-propan-2-ylhexan-1-amine
SMILESCCCCCCN(C)C(C)C.O=CO
InChIInChI=1S/C10H23N.CH2O2/c1-5-6-7-8-9-11(4)10(2)3;2-1-3/h10H,5-9H2,1-4H3;1H,(H,2,3)
InChIKeyIPEJXBOZDZTPLN-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.61
Rot. Bonds6

About formic acid;N-methyl-N-propan-2-ylhexan-1-amine

formic acid;N-methyl-N-propan-2-ylhexan-1-amine (PubChem CID 169177535) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is formic acid;N-methyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Nameformic acid;N-methyl-N-propan-2-ylhexan-1-amine
PubChem CID169177535
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Nameformic acid;N-methyl-N-propan-2-ylhexan-1-amine
SMILESCCCCCCN(C)C(C)C.O=CO
InChIInChI=1S/C10H23N.CH2O2/c1-5-6-7-8-9-11(4)10(2)3;2-1-3/h10H,5-9H2,1-4H3;1H,(H,2,3)
InChIKeyIPEJXBOZDZTPLN-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
1-[dodecyl(methyl)amino]propane-1,2-diol
CID 129203951
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
10-[methyl(propan-2-yl)amino]decan-3-one
CID 176577807
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine
CID 163400505
7-[methyl(propan-2-yl)amino]heptan-2-one
CID 166554593
N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998
1-[methyl(octadecyl)amino]ethyl hexadecanoate
CID 19781253
(2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid
CID 154125332

Frequently Asked Questions

What is the IUPAC name of formic acid;N-methyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of formic acid;N-methyl-N-propan-2-ylhexan-1-amine (CID 169177535) is formic acid;N-methyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for formic acid;N-methyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for formic acid;N-methyl-N-propan-2-ylhexan-1-amine is CCCCCCN(C)C(C)C.O=CO.
What is the InChIKey of formic acid;N-methyl-N-propan-2-ylhexan-1-amine?
The InChIKey is IPEJXBOZDZTPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.CH2O2/c1-5-6-7-8-9-11(4)10(2)3;2-1-3/h10H,5-9H2,1-4H3;1H,(H,2,3).
What are the key properties of formic acid;N-methyl-N-propan-2-ylhexan-1-amine?
formic acid;N-methyl-N-propan-2-ylhexan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-methyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 169177535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).