1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine

C12H23NO — CID 61020377

IUPAC1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCCOC1)C1(C)CC1
InChIInChI=1S/C12H23NO/c1-10(12(2)5-6-12)13-8-11-4-3-7-14-9-11/h10-11,13H,3-9H2,1-2H3
InChIKeyKFNAXGIBHYNTAC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds4

About 1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine

1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine (PubChem CID 61020377) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine
PubChem CID61020377
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCCOC1)C1(C)CC1
InChIInChI=1S/C12H23NO/c1-10(12(2)5-6-12)13-8-11-4-3-7-14-9-11/h10-11,13H,3-9H2,1-2H3
InChIKeyKFNAXGIBHYNTAC-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(cyclopentylmethyl)-1-(1-methylcyclopropyl)ethanamine
CID 43370725
N-(cyclohexylmethyl)-1-(1-methylcyclopropyl)ethanamine
CID 43371383
1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
CID 115710920
4-methyl-N-(oxan-3-ylmethyl)pentan-2-amine
CID 61020127
N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115710912
1-methyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 63739507
2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol
CID 115907690
3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 80705483
4,4,4-trifluoro-N-(oxan-3-ylmethyl)butan-2-amine
CID 103778206
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191196
(2R)-2-(oxan-3-ylmethylamino)butan-1-ol
CID 103924305

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine (CID 61020377) is 1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine is CC(NCC1CCCOC1)C1(C)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine?
The InChIKey is KFNAXGIBHYNTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(12(2)5-6-12)13-8-11-4-3-7-14-9-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine?
1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine is sourced from PubChem (CID 61020377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).