8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C14H28N2 — CID 168740580

IUPAC8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)CCN1C2CCC1CN(C(C)C)C2
InChIInChI=1S/C14H28N2/c1-11(2)7-8-16-13-5-6-14(16)10-15(9-13)12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyIYFGMTXHYFWZMG-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.59
Rot. Bonds4

About 8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 168740580) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID168740580
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)CCN1C2CCC1CN(C(C)C)C2
InChIInChI=1S/C14H28N2/c1-11(2)7-8-16-13-5-6-14(16)10-15(9-13)12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyIYFGMTXHYFWZMG-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane with MolForge

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Related Compounds

8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane
CID 166801027
8-(3-methylbutyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 20524123
6-(3-methylbutyl)-3-thia-6-azabicyclo[3.1.1]heptane
CID 172588599
2,3-dimethyl-1-(3-methylbutyl)aziridine
CID 130453016
8-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 166461736
2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol
CID 156729433
3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 177029020
(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine
CID 155468867
8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 176841713
10-methyl-8-propan-2-yl-8,10-diazabicyclo[4.3.2]undecane
CID 176748103
(1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane
CID 156558140
3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 67986727

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 168740580) is 8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(C)CCN1C2CCC1CN(C(C)C)C2.
What is the InChIKey of 8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is IYFGMTXHYFWZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)7-8-16-13-5-6-14(16)10-15(9-13)12(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 224.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 168740580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).