[3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine

C11H22N2 — CID 155370626

IUPAC[3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
SMILESCCC(C)(C)N1CC2CC2(CN)C1
InChIInChI=1S/C11H22N2/c1-4-10(2,3)13-6-9-5-11(9,7-12)8-13/h9H,4-8,12H2,1-3H3
InChIKeyPKTIFWJPVCTEJJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.46
Rot. Bonds3

About [3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine

[3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine (PubChem CID 155370626) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is [3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
PubChem CID155370626
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name[3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
SMILESCCC(C)(C)N1CC2CC2(CN)C1
InChIInChI=1S/C11H22N2/c1-4-10(2,3)13-6-9-5-11(9,7-12)8-13/h9H,4-8,12H2,1-3H3
InChIKeyPKTIFWJPVCTEJJ-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine with MolForge

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Related Compounds

(1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane
CID 126510553
1,4,7,10-tetrakis(2-methylbutan-2-yl)-1,4,7,10-tetrazacyclododecane
CID 139847650
[(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 99109794
[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 102547836
1-(2-methylbutan-2-yl)pyrrolidin-3-amine
CID 43315387
1,3-bis(2-methylbutan-2-yl)azetidine
CID 176964462
(1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine
CID 139362761
tert-butyl (1R,6R)-6-(aminomethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 98123514
6-(2-methylbutan-2-yl)-6-azaspiro[3.4]octan-3-amine
CID 155370700
1,1-diethyl-5-methyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium
CID 162288868
3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine
CID 167292307
3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine
CID 155259857

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine?
The IUPAC name of [3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine (CID 155370626) is [3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine.
What is the SMILES notation for [3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine?
The canonical SMILES for [3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine is CCC(C)(C)N1CC2CC2(CN)C1.
What is the InChIKey of [3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine?
The InChIKey is PKTIFWJPVCTEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-10(2,3)13-6-9-5-11(9,7-12)8-13/h9H,4-8,12H2,1-3H3.
What are the key properties of [3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine?
[3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine has a molecular weight of 182.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine is sourced from PubChem (CID 155370626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).