6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane

C10H17N — CID 171591162

IUPAC6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane
SMILESCC(C)N1CC2CC1C1CC21
InChIInChI=1S/C10H17N/c1-6(2)11-5-7-3-10(11)9-4-8(7)9/h6-10H,3-5H2,1-2H3
InChIKeySNOJKSXBYIOTPV-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.74
Rot. Bonds1

About 6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane

6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane (PubChem CID 171591162) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane
PubChem CID171591162
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane
SMILESCC(C)N1CC2CC1C1CC21
InChIInChI=1S/C10H17N/c1-6(2)11-5-7-3-10(11)9-4-8(7)9/h6-10H,3-5H2,1-2H3
InChIKeySNOJKSXBYIOTPV-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine
CID 172546338
(1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 126658236
3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane
CID 171046370
8-propan-2-yl-8-azabicyclo[5.2.0]nonane
CID 166687611
(1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine
CID 164821495
(1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane
CID 164821497
5-methyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 130224407
2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
CID 129231151
(1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
CID 155648652
(1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane
CID 166773781
(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane
CID 166831910
7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane
CID 170230574

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane?
The IUPAC name of 6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane (CID 171591162) is 6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane is CC(C)N1CC2CC1C1CC21.
What is the InChIKey of 6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane?
The InChIKey is SNOJKSXBYIOTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-6(2)11-5-7-3-10(11)9-4-8(7)9/h6-10H,3-5H2,1-2H3.
What are the key properties of 6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane?
6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane has a molecular weight of 151.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 171591162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).