3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine

C12H22N2O — CID 106173343

IUPAC3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine
SMILESNCC1(NCCC2=CCCC2)CCOC1
InChIInChI=1S/C12H22N2O/c13-9-12(6-8-15-10-12)14-7-5-11-3-1-2-4-11/h3,14H,1-2,4-10,13H2
InChIKeyPCRWWLNXCGGFMW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.19
Rot. Bonds5

About 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine

3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine (PubChem CID 106173343) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine
PubChem CID106173343
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine
SMILESNCC1(NCCC2=CCCC2)CCOC1
InChIInChI=1S/C12H22N2O/c13-9-12(6-8-15-10-12)14-7-5-11-3-1-2-4-11/h3,14H,1-2,4-10,13H2
InChIKeyPCRWWLNXCGGFMW-UHFFFAOYSA-N
XLogP1.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine
CID 106173472
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclobutan-1-amine
CID 106173190
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine
CID 106173434
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 106173193
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine
CID 114153855
3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine
CID 114153856
N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine
CID 130941641
4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine
CID 106173479
2-[[3-(aminomethyl)oxolan-3-yl]amino]ethanol;ethane
CID 144870956
3-(aminomethyl)-N-but-3-ynyloxolan-3-amine
CID 116641093
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 106173363
3-(aminomethyl)-N-benzyloxolan-3-amine
CID 65384002

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine (CID 106173343) is 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine is NCC1(NCCC2=CCCC2)CCOC1.
What is the InChIKey of 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine?
The InChIKey is PCRWWLNXCGGFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-9-12(6-8-15-10-12)14-7-5-11-3-1-2-4-11/h3,14H,1-2,4-10,13H2.
What are the key properties of 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine?
3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine has a molecular weight of 210.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 106173343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).