3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane

C14H28N2 — CID 165145974

IUPAC3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCCCCCN1CC2CCC(C1)N2C
InChIInChI=1S/C14H28N2/c1-3-4-5-6-7-10-16-11-13-8-9-14(12-16)15(13)2/h13-14H,3-12H2,1-2H3
InChIKeyXDDGTPJXCWZQIT-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.74
Rot. Bonds6

About 3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane

3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 165145974) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID165145974
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCCCCCN1CC2CCC(C1)N2C
InChIInChI=1S/C14H28N2/c1-3-4-5-6-7-10-16-11-13-8-9-14(12-16)15(13)2/h13-14H,3-12H2,1-2H3
InChIKeyXDDGTPJXCWZQIT-UHFFFAOYSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane
CID 156795020
ethane;(1S,5R)-3-pentyl-8-propyl-3,8-diazabicyclo[3.2.1]octane
CID 167520832
(1S,5R)-3-(5-methylheptyl)-8-octyl-3,8-diazabicyclo[3.2.1]octane
CID 170008963
(1S,5R)-3-(5-methylhexyl)-8-(2-methyloctyl)-3,8-diazabicyclo[3.2.1]octane
CID 170040117
(1S,5R)-8-(2-hexyloctyl)-3-(5-methylnonyl)-3,8-diazabicyclo[3.2.1]octane
CID 170006831
ethane;1-[(1S,5R)-3-pentyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 155750957
(3S,4S)-1-hexadecylpyrrolidine-3,4-diol
CID 129411144
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
2,6-dimethyl-4-tritriacontylmorpholine
CID 150123657
1-decyl-4-propan-2-ylpiperidine
CID 166461232
3-tert-butyl-1-heptylazetidine
CID 157310046

Frequently Asked Questions

What is the IUPAC name of 3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 165145974) is 3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane is CCCCCCCN1CC2CCC(C1)N2C.
What is the InChIKey of 3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is XDDGTPJXCWZQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-4-5-6-7-10-16-11-13-8-9-14(12-16)15(13)2/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane?
3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 224.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 165145974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).