1-(azepan-2-ylmethyl)-4-methylazepane

C14H28N2 — CID 64570778

IUPAC1-(azepan-2-ylmethyl)-4-methylazepane
SMILESCC1CCCN(CC2CCCCCN2)CC1
InChIInChI=1S/C14H28N2/c1-13-6-5-10-16(11-8-13)12-14-7-3-2-4-9-15-14/h13-15H,2-12H2,1H3
InChIKeyDORFDMVIRZUEDO-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds2

About 1-(azepan-2-ylmethyl)-4-methylazepane

1-(azepan-2-ylmethyl)-4-methylazepane (PubChem CID 64570778) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(azepan-2-ylmethyl)-4-methylazepane.

Molecular Properties

Compound Name1-(azepan-2-ylmethyl)-4-methylazepane
PubChem CID64570778
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(azepan-2-ylmethyl)-4-methylazepane
SMILESCC1CCCN(CC2CCCCCN2)CC1
InChIInChI=1S/C14H28N2/c1-13-6-5-10-16(11-8-13)12-14-7-3-2-4-9-15-14/h13-15H,2-12H2,1H3
InChIKeyDORFDMVIRZUEDO-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
(3R)-3-methyl-1-[[(2R)-piperidin-2-yl]methyl]piperidine
CID 124748585
2-[(4-methoxypiperidin-1-yl)methyl]azepane
CID 64569369
4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride
CID 56831635
1-[[(2R)-piperidin-2-yl]methyl]piperidin-4-ol
CID 86323612
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 130522631
4-tert-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]azepane
CID 104870241
4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
CID 28787643
4-(azepan-2-ylmethyl)-2,6-dimethylthiomorpholine
CID 64568587
2-[(3,4,5-trimethylpiperazin-1-yl)methyl]azepane
CID 114547072
4-propan-2-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 103495902

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-ylmethyl)-4-methylazepane?
The IUPAC name of 1-(azepan-2-ylmethyl)-4-methylazepane (CID 64570778) is 1-(azepan-2-ylmethyl)-4-methylazepane.
What is the SMILES notation for 1-(azepan-2-ylmethyl)-4-methylazepane?
The canonical SMILES for 1-(azepan-2-ylmethyl)-4-methylazepane is CC1CCCN(CC2CCCCCN2)CC1.
What is the InChIKey of 1-(azepan-2-ylmethyl)-4-methylazepane?
The InChIKey is DORFDMVIRZUEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13-6-5-10-16(11-8-13)12-14-7-3-2-4-9-15-14/h13-15H,2-12H2,1H3.
What are the key properties of 1-(azepan-2-ylmethyl)-4-methylazepane?
1-(azepan-2-ylmethyl)-4-methylazepane has a molecular weight of 224.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-ylmethyl)-4-methylazepane is sourced from PubChem (CID 64570778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).