1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine

C12H23NO — CID 62600215

IUPAC1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)C1CC1
InChIInChI=1S/C12H23NO/c1-2-13-12(11-3-4-11)9-10-5-7-14-8-6-10/h10-13H,2-9H2,1H3
InChIKeyNOCDGVYHYFMLJL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About 1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine

1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine (PubChem CID 62600215) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine
PubChem CID62600215
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)C1CC1
InChIInChI=1S/C12H23NO/c1-2-13-12(11-3-4-11)9-10-5-7-14-8-6-10/h10-13H,2-9H2,1H3
InChIKeyNOCDGVYHYFMLJL-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(oxan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65331868
N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80622502
N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine
CID 105147710
1,2-di(cyclobutyl)-N-ethylethanamine
CID 65456991
1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 113362179
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799
N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine
CID 103516564
1-cyclobutyl-N-methyl-2-(oxan-4-yl)ethanamine
CID 64986800
2-cyclopropyl-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391637
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 64984307
N-ethyl-3-methyl-1-(oxan-4-yl)but-3-en-1-amine
CID 79186658

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine (CID 62600215) is 1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine?
The InChIKey is NOCDGVYHYFMLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-13-12(11-3-4-11)9-10-5-7-14-8-6-10/h10-13H,2-9H2,1H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine?
1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 62600215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).