3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane

C13H26N2 — CID 167202044

IUPAC3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCCC(CC)N1CC2CCC(C1)N2
InChIInChI=1S/C13H26N2/c1-3-5-6-13(4-2)15-9-11-7-8-12(10-15)14-11/h11-14H,3-10H2,1-2H3
InChIKeyBMJHYEZQPLBKCT-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.39
Rot. Bonds5

About 3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane

3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 167202044) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID167202044
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCCC(CC)N1CC2CCC(C1)N2
InChIInChI=1S/C13H26N2/c1-3-5-6-13(4-2)15-9-11-7-8-12(10-15)14-11/h11-14H,3-10H2,1-2H3
InChIKeyBMJHYEZQPLBKCT-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-heptan-3-ylpiperidine-4-carbonitrile
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3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 115313863
3-hexan-3-yl-3-azabicyclo[3.1.0]hexane
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(3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol
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1-decan-3-ylpiperidine
CID 68984931
7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol
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3-heptyl-3,9-diazabicyclo[4.2.1]nonane
CID 81490155
N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane (CID 167202044) is 3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane is CCCCC(CC)N1CC2CCC(C1)N2.
What is the InChIKey of 3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is BMJHYEZQPLBKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-5-6-13(4-2)15-9-11-7-8-12(10-15)14-11/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane?
3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 210.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 167202044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).