(1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane

C12H24N2 — CID 156795020

IUPAC(1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCCCN1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C12H24N2/c1-3-4-5-8-14-9-11-6-7-12(10-14)13(11)2/h11-12H,3-10H2,1-2H3/t11-,12+
InChIKeyVZTLEWAYOLFDFH-TXEJJXNPSA-N
MW196.34 g/mol
LogP1.96
Rot. Bonds4

About (1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane

(1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 156795020) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID156795020
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCCCN1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C12H24N2/c1-3-4-5-8-14-9-11-6-7-12(10-14)13(11)2/h11-12H,3-10H2,1-2H3/t11-,12+
InChIKeyVZTLEWAYOLFDFH-TXEJJXNPSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.96
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

3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 165145974
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
ethane;1-[(1S,5R)-3-pentyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 155750957
(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
(3S,4S)-1-hexadecylpyrrolidine-3,4-diol
CID 129411144
3-(4-bromobutyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175266
3,5-dimethyl-1-pentylpiperazine
CID 63862612
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
1-pentylpiperidine-3,4-diol
CID 69410100
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane (CID 156795020) is (1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane is CCCCCN1C[C@H]2CC[C@@H](C1)N2C.
What is the InChIKey of (1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is VZTLEWAYOLFDFH-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-4-5-8-14-9-11-6-7-12(10-14)13(11)2/h11-12H,3-10H2,1-2H3/t11-,12+.
What are the key properties of (1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane?
(1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 196.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 156795020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).