1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine

C14H28N2O — CID 114240339

IUPAC1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine
SMILESCN(CC1CCCCCCN1)CC1CCCO1
InChIInChI=1S/C14H28N2O/c1-16(12-14-8-6-10-17-14)11-13-7-4-2-3-5-9-15-13/h13-15H,2-12H2,1H3
InChIKeyIMZRQTFOERTMET-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds4

About 1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine

1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 114240339) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine
PubChem CID114240339
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine
SMILESCN(CC1CCCCCCN1)CC1CCCO1
InChIInChI=1S/C14H28N2O/c1-16(12-14-8-6-10-17-14)11-13-7-4-2-3-5-9-15-13/h13-15H,2-12H2,1H3
InChIKeyIMZRQTFOERTMET-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 104870155
N-methyl-N-(oxan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine
CID 55047647
N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 114240374
N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine
CID 86323616
2-[2-(oxolan-2-yl)ethyl]azepane
CID 65165343
1-cyclopentyl-N-methyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 63631590
N-ethyl-N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 113462152
2-[3-(oxolan-2-yl)propyl]azepane
CID 65165342
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N-methyl-N-(oxan-2-ylmethyl)-3-piperidin-2-ylpropanamide
CID 62211472
N-[3-(oxolan-2-yl)propyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631701
N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 64570764

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of 1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine (CID 114240339) is 1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine is CN(CC1CCCCCCN1)CC1CCCO1.
What is the InChIKey of 1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is IMZRQTFOERTMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16(12-14-8-6-10-17-14)11-13-7-4-2-3-5-9-15-13/h13-15H,2-12H2,1H3.
What are the key properties of 1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine?
1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 114240339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).