2-(pentoxymethyl)-N-propylprop-2-en-1-amine

C12H25NO — CID 103074637

IUPAC2-(pentoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COCCCCC
InChIInChI=1S/C12H25NO/c1-4-6-7-9-14-11-12(3)10-13-8-5-2/h13H,3-11H2,1-2H3
InChIKeyXMGKVRYYOMIBOH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds10

About 2-(pentoxymethyl)-N-propylprop-2-en-1-amine

2-(pentoxymethyl)-N-propylprop-2-en-1-amine (PubChem CID 103074637) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(pentoxymethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(pentoxymethyl)-N-propylprop-2-en-1-amine
PubChem CID103074637
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(pentoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COCCCCC
InChIInChI=1S/C12H25NO/c1-4-6-7-9-14-11-12(3)10-13-8-5-2/h13H,3-11H2,1-2H3
InChIKeyXMGKVRYYOMIBOH-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
2-(2,2-difluoroethoxymethyl)-N-propylprop-2-en-1-amine
CID 103075031
N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075039
N-propyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075045
N-ethyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075053
N-propyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075059
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine
CID 139904426
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
N-(3-ethoxypropyl)-2-methylprop-2-en-1-amine
CID 60689898
N-(2-methylprop-2-en-1-yl)oxan-4-amine
CID 62331163

Frequently Asked Questions

What is the IUPAC name of 2-(pentoxymethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(pentoxymethyl)-N-propylprop-2-en-1-amine (CID 103074637) is 2-(pentoxymethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(pentoxymethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(pentoxymethyl)-N-propylprop-2-en-1-amine is C=C(CNCCC)COCCCCC.
What is the InChIKey of 2-(pentoxymethyl)-N-propylprop-2-en-1-amine?
The InChIKey is XMGKVRYYOMIBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-7-9-14-11-12(3)10-13-8-5-2/h13H,3-11H2,1-2H3.
What are the key properties of 2-(pentoxymethyl)-N-propylprop-2-en-1-amine?
2-(pentoxymethyl)-N-propylprop-2-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentoxymethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103074637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).