2-(pentoxymethyl)prop-2-en-1-amine

C9H19NO — CID 103074638

IUPAC2-(pentoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCCCC
InChIInChI=1S/C9H19NO/c1-3-4-5-6-11-8-9(2)7-10/h2-8,10H2,1H3
InChIKeySEECMPVBVHFCGW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds7

About 2-(pentoxymethyl)prop-2-en-1-amine

2-(pentoxymethyl)prop-2-en-1-amine (PubChem CID 103074638) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(pentoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(pentoxymethyl)prop-2-en-1-amine
PubChem CID103074638
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(pentoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCCCC
InChIInChI=1S/C9H19NO/c1-3-4-5-6-11-8-9(2)7-10/h2-8,10H2,1H3
InChIKeySEECMPVBVHFCGW-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.71
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'}

Analyze 2-(pentoxymethyl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Ethoxymethyl)buta-2,3-dien-1-amine
CID 19894398
(E)-3-hexoxy-2-methylprop-1-en-1-amine
CID 144558606
3-(2-Methylidenebutoxy)propan-1-amine
CID 66045735
5-(2-Methylprop-2-enoxy)pentan-1-amine
CID 82352892
2-(Cyclopentyloxymethyl)prop-2-en-1-amine
CID 103074334
2-(Aminomethyl)-3-methoxyprop-1-ene
CID 103074361
2-(Ethoxymethyl)prop-2-en-1-amine
CID 103074368
2-(2-Ethoxyethoxymethyl)prop-2-en-1-amine
CID 103074375
2-(3-Methylbutoxymethyl)prop-2-en-1-amine
CID 103074387
2-(2-Methylpropoxymethyl)prop-2-en-1-amine
CID 103074427
2-(4-Methylpentan-2-yloxymethyl)prop-2-en-1-amine
CID 103074482
2-(Octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074506

Frequently Asked Questions

What is the IUPAC name of 2-(pentoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(pentoxymethyl)prop-2-en-1-amine (CID 103074638) is 2-(pentoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(pentoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(pentoxymethyl)prop-2-en-1-amine is C=C(CN)COCCCCC.
What is the InChIKey of 2-(pentoxymethyl)prop-2-en-1-amine?
The InChIKey is SEECMPVBVHFCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-5-6-11-8-9(2)7-10/h2-8,10H2,1H3.
What are the key properties of 2-(pentoxymethyl)prop-2-en-1-amine?
2-(pentoxymethyl)prop-2-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).