1-cyclopentyl-2-methyl-1,5-diazocane

C12H24N2 — CID 117014693

IUPAC1-cyclopentyl-2-methyl-1,5-diazocane
SMILESCC1CCNCCCN1C1CCCC1
InChIInChI=1S/C12H24N2/c1-11-7-9-13-8-4-10-14(11)12-5-2-3-6-12/h11-13H,2-10H2,1H3
InChIKeyHLTBNPGWNIFQEP-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds1

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

1-cyclopentyl-2-methyl-1,5-diazocane (PubChem CID 117014693) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-1,5-diazocane.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-1,5-diazocane
PubChem CID117014693
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-cyclopentyl-2-methyl-1,5-diazocane
SMILESCC1CCNCCCN1C1CCCC1
InChIInChI=1S/C12H24N2/c1-11-7-9-13-8-4-10-14(11)12-5-2-3-6-12/h11-13H,2-10H2,1H3
InChIKeyHLTBNPGWNIFQEP-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-1,5-diazocane?
The IUPAC name of 1-cyclopentyl-2-methyl-1,5-diazocane (CID 117014693) is 1-cyclopentyl-2-methyl-1,5-diazocane.
What is the SMILES notation for 1-cyclopentyl-2-methyl-1,5-diazocane?
The canonical SMILES for 1-cyclopentyl-2-methyl-1,5-diazocane is CC1CCNCCCN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-methyl-1,5-diazocane?
The InChIKey is HLTBNPGWNIFQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11-7-9-13-8-4-10-14(11)12-5-2-3-6-12/h11-13H,2-10H2,1H3.
What are the key properties of 1-cyclopentyl-2-methyl-1,5-diazocane?
1-cyclopentyl-2-methyl-1,5-diazocane has a molecular weight of 196.34 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methyl-1,5-diazocane is sourced from PubChem (CID 117014693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).