2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine

C13H26N2O — CID 61433844

IUPAC2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
SMILESCCN(CC1CCCO1)C1CCCC1CN
InChIInChI=1S/C13H26N2O/c1-2-15(10-12-6-4-8-16-12)13-7-3-5-11(13)9-14/h11-13H,2-10,14H2,1H3
InChIKeyVNJYJDPPAMOFMJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds5

About 2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine

2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine (PubChem CID 61433844) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
PubChem CID61433844
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
SMILESCCN(CC1CCCO1)C1CCCC1CN
InChIInChI=1S/C13H26N2O/c1-2-15(10-12-6-4-8-16-12)13-7-3-5-11(13)9-14/h11-13H,2-10,14H2,1H3
InChIKeyVNJYJDPPAMOFMJ-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine (CID 61433844) is 2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine is CCN(CC1CCCO1)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is VNJYJDPPAMOFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-15(10-12-6-4-8-16-12)13-7-3-5-11(13)9-14/h11-13H,2-10,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine?
2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 61433844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).