2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine

C12H25NO — CID 103074635

IUPAC2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCCCCC
InChIInChI=1S/C12H25NO/c1-5-6-7-8-14-10-12(4)9-13-11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyTZRVUSJUZDMWGT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds9

About 2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074635) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074635
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCCCCC
InChIInChI=1S/C12H25NO/c1-5-6-7-8-14-10-12(4)9-13-11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyTZRVUSJUZDMWGT-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074344
2-(2,2-difluoroethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103075028
N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075042
N-propan-2-yl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075056
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
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
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen
CID 166111982
N-(2-methylprop-2-en-1-yl)oxan-4-amine
CID 62331163
3-(3-methylbut-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342601
3-(2-methylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342603
4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine
CID 64605269

Frequently Asked Questions

What is the IUPAC name of 2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074635) is 2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COCCCCC.
What is the InChIKey of 2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is TZRVUSJUZDMWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-6-7-8-14-10-12(4)9-13-11(2)3/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).