3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane

C10H19N — CID 147755667

IUPAC3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
SMILESCC1CC2CC(C1)N2C(C)C
InChIInChI=1S/C10H19N/c1-7(2)11-9-4-8(3)5-10(11)6-9/h7-10H,4-6H2,1-3H3
InChIKeySZAOEGRXDABKAK-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.27
Rot. Bonds1

About 3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane

3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane (PubChem CID 147755667) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
PubChem CID147755667
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
SMILESCC1CC2CC(C1)N2C(C)C
InChIInChI=1S/C10H19N/c1-7(2)11-9-4-8(3)5-10(11)6-9/h7-10H,4-6H2,1-3H3
InChIKeySZAOEGRXDABKAK-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
CID 166462217
ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane
CID 177325541
7-methyl-9-azatricyclo[3.3.1.03,9]nonane
CID 59882553
3-butan-2-yl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
CID 154672226
(5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine
CID 155418933
6-propan-2-yl-3-(trideuteriomethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 170689591
4-isocyano-7-propan-2-yl-3-oxa-7-azabicyclo[4.1.1]octane
CID 176594387
10-propan-2-yl-10-azabicyclo[4.3.1]decane
CID 58967881
7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane
CID 174363845
8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane
CID 59450891
3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 176984317
(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane (CID 147755667) is 3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane is CC1CC2CC(C1)N2C(C)C.
What is the InChIKey of 3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The InChIKey is SZAOEGRXDABKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-7(2)11-9-4-8(3)5-10(11)6-9/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane has a molecular weight of 153.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 147755667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).