molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine

C10H19NO — CID 155702835

IUPACmolecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine
SMILESCCCNCC1CC2C=CC1O2.[H][H]
InChIInChI=1S/C10H17NO.H2/c1-2-5-11-7-8-6-9-3-4-10(8)12-9;/h3-4,8-11H,2,5-7H2,1H3;1H
InChIKeyBIEMAAHNFQDZMV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds4

About molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine

molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine (PubChem CID 155702835) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Namemolecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine
PubChem CID155702835
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Namemolecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine
SMILESCCCNCC1CC2C=CC1O2.[H][H]
InChIInChI=1S/C10H17NO.H2/c1-2-5-11-7-8-6-9-3-4-10(8)12-9;/h3-4,8-11H,2,5-7H2,1H3;1H
InChIKeyBIEMAAHNFQDZMV-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
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 molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-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

rac-1-((1R,2S,4R)-7-oxabicyclo(2.2.1)hept-5-en-2-yl)methanamine
CID 129370300
(E)-N-[3-(1-fluorocyclopropyl)propyl]-5-[(3S)-3,4,5-trimethyloxolan-2-yl]pent-4-en-1-amine
CID 166995825
(E)-N-[(3-ethyl-3-fluorocyclobutyl)methyl]-5-(5-methyloxolan-2-yl)pent-4-en-1-amine
CID 166995960
1-(7-Oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-2-ol
CID 20649869
1-Butyl-3-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)thiourea
CID 20649881
1-Butyl-3-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)urea
CID 20649882
2-(7-Oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol
CID 20649906
N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine
CID 20679330
7-Oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine
CID 55285099
[(1S,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine
CID 55288757
[(1S,2S,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine
CID 55288758
10-Oxa-4-azatricyclo[5.2.1.0,2,6]dec-8-ene
CID 90412226

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine?
The IUPAC name of molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine (CID 155702835) is molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine.
What is the SMILES notation for molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine?
The canonical SMILES for molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine is CCCNCC1CC2C=CC1O2.[H][H].
What is the InChIKey of molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine?
The InChIKey is BIEMAAHNFQDZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.H2/c1-2-5-11-7-8-6-9-3-4-10(8)12-9;/h3-4,8-11H,2,5-7H2,1H3;1H.
What are the key properties of molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine?
molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 155702835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).