6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

C14H27N3 — CID 19369267

IUPAC6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCN1CCCCC1CCC1CCCCN=C1N
InChIInChI=1S/C14H27N3/c1-17-11-5-3-7-13(17)9-8-12-6-2-4-10-16-14(12)15/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyNNNDHCVXFYAYFZ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.41
Rot. Bonds3

About 6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 19369267) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID19369267
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCN1CCCCC1CCC1CCCCN=C1N
InChIInChI=1S/C14H27N3/c1-17-11-5-3-7-13(17)9-8-12-6-2-4-10-16-14(12)15/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyNNNDHCVXFYAYFZ-UHFFFAOYSA-N
XLogP2.41
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine with MolForge

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Related Compounds

4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazol-3-amine
CID 107912156
2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen
CID 178143502
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
N,N-dimethyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 142889902
N'-methyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]ethane-1,2-diamine
CID 62688458
1-[(1-methylpiperidin-2-yl)methyl]pyrazol-4-amine
CID 170985114
2-(1-methylpiperidin-2-yl)ethanesulfonamide
CID 107912942
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913819
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine
CID 116642161
6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one
CID 154782778

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of 6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 19369267) is 6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for 6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for 6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is CN1CCCCC1CCC1CCCCN=C1N.
What is the InChIKey of 6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is NNNDHCVXFYAYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-17-11-5-3-7-13(17)9-8-12-6-2-4-10-16-14(12)15/h12-13H,2-11H2,1H3,(H2,15,16).
What are the key properties of 6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 237.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 19369267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).