N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine

C15H30N2O — CID 114240374

IUPACN-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCN(CC1CCOCC1)CC1CCCCCCN1
InChIInChI=1S/C15H30N2O/c1-17(12-14-7-10-18-11-8-14)13-15-6-4-2-3-5-9-16-15/h14-16H,2-13H2,1H3
InChIKeyLMBGNIYRWDBDLM-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds4

About N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine

N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 114240374) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID114240374
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCN(CC1CCOCC1)CC1CCCCCCN1
InChIInChI=1S/C15H30N2O/c1-17(12-14-7-10-18-11-8-14)13-15-6-4-2-3-5-9-16-15/h14-16H,2-13H2,1H3
InChIKeyLMBGNIYRWDBDLM-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine
CID 86323616
1-cyclopentyl-N-methyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 63631590
1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine
CID 114240339
N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 104870155
2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
CID 126845727
N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 64570764
3-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]cyclobutan-1-ol
CID 106639630
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192
2-(oxan-4-ylmethoxymethyl)piperidine
CID 62383000
N-methyl-N-(2-piperidin-2-ylethyl)oxan-4-amine
CID 43611270
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-piperidin-2-ylmethanamine
CID 79314836
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268

Frequently Asked Questions

What is the IUPAC name of N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine (CID 114240374) is N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine is CN(CC1CCOCC1)CC1CCCCCCN1.
What is the InChIKey of N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is LMBGNIYRWDBDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-17(12-14-7-10-18-11-8-14)13-15-6-4-2-3-5-9-16-15/h14-16H,2-13H2,1H3.
What are the key properties of N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine?
N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 114240374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).