N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine

C9H15NO — CID 62065051

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCC1CCC=CO1
InChIInChI=1S/C9H15NO/c1-2-6-10-8-9-5-3-4-7-11-9/h2,4,7,9-10H,1,3,5-6,8H2
InChIKeyHAHRHIUUQCBUBL-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.45
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine (PubChem CID 62065051) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine
PubChem CID62065051
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCC1CCC=CO1
InChIInChI=1S/C9H15NO/c1-2-6-10-8-9-5-3-4-7-11-9/h2,4,7,9-10H,1,3,5-6,8H2
InChIKeyHAHRHIUUQCBUBL-UHFFFAOYSA-N
XLogP1.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.45
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 N-(3,4-dihydro-2H-pyran-2-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine (CID 62065051) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine is C=CCNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is HAHRHIUUQCBUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-6-10-8-9-5-3-4-7-11-9/h2,4,7,9-10H,1,3,5-6,8H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 62065051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).