1-cyclopropyl-2-methyl-1,5-diazocane

C10H20N2 — CID 117014688

IUPAC1-cyclopropyl-2-methyl-1,5-diazocane
SMILESCC1CCNCCCN1C1CC1
InChIInChI=1S/C10H20N2/c1-9-5-7-11-6-2-8-12(9)10-3-4-10/h9-11H,2-8H2,1H3
InChIKeyQEFHSPAPZPJRLK-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.22
Rot. Bonds1

About 1-cyclopropyl-2-methyl-1,5-diazocane

1-cyclopropyl-2-methyl-1,5-diazocane (PubChem CID 117014688) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-1,5-diazocane.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-1,5-diazocane
PubChem CID117014688
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-cyclopropyl-2-methyl-1,5-diazocane
SMILESCC1CCNCCCN1C1CC1
InChIInChI=1S/C10H20N2/c1-9-5-7-11-6-2-8-12(9)10-3-4-10/h9-11H,2-8H2,1H3
InChIKeyQEFHSPAPZPJRLK-UHFFFAOYSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-methyl-1,5-diazocane
CID 117014693
4-(2-methylpyrrolidin-1-yl)piperidine;dihydrochloride
CID 67478918
1-(4-tert-butylcyclohexyl)-7-methyl-1,4-diazepane
CID 82245094
(2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine
CID 59401779
(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 14734985
ethane;5-methyl-2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-d][1,4]diazepine
CID 176948108
(2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride
CID 67423613
4-(2,3-dimethylpiperidin-1-yl)azepane
CID 63903287
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
4-(2-methylpiperidin-1-yl)cyclohexan-1-amine
CID 62807430
(2R)-1-cyclopentyl-2-methylpiperazine
CID 79002573

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-1,5-diazocane?
The IUPAC name of 1-cyclopropyl-2-methyl-1,5-diazocane (CID 117014688) is 1-cyclopropyl-2-methyl-1,5-diazocane.
What is the SMILES notation for 1-cyclopropyl-2-methyl-1,5-diazocane?
The canonical SMILES for 1-cyclopropyl-2-methyl-1,5-diazocane is CC1CCNCCCN1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-1,5-diazocane?
The InChIKey is QEFHSPAPZPJRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9-5-7-11-6-2-8-12(9)10-3-4-10/h9-11H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-2-methyl-1,5-diazocane?
1-cyclopropyl-2-methyl-1,5-diazocane has a molecular weight of 168.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-1,5-diazocane is sourced from PubChem (CID 117014688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).