2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine

C13H25NO — CID 43709491

IUPAC2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCCCC1NCC1CCOC1
InChIInChI=1S/C13H25NO/c1-2-12-5-3-4-6-13(12)14-9-11-7-8-15-10-11/h11-14H,2-10H2,1H3
InChIKeyCMZFENYTXZBABK-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds4

About 2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine

2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine (PubChem CID 43709491) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine
PubChem CID43709491
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCCCC1NCC1CCOC1
InChIInChI=1S/C13H25NO/c1-2-12-5-3-4-6-13(12)14-9-11-7-8-15-10-11/h11-14H,2-10H2,1H3
InChIKeyCMZFENYTXZBABK-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine (CID 43709491) is 2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine is CCC1CCCCC1NCC1CCOC1.
What is the InChIKey of 2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is CMZFENYTXZBABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-12-5-3-4-6-13(12)14-9-11-7-8-15-10-11/h11-14H,2-10H2,1H3.
What are the key properties of 2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine?
2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43709491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).