N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine

C13H26N2 — CID 105364921

IUPACN-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(C)(C)CCNC1CCN2CCC1C2
InChIInChI=1S/C13H26N2/c1-13(2,3)6-7-14-12-5-9-15-8-4-11(12)10-15/h11-12,14H,4-10H2,1-3H3
InChIKeyCATGKPBHNVQTJQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds3

About N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine

N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364921) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364921
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(C)(C)CCNC1CCN2CCC1C2
InChIInChI=1S/C13H26N2/c1-13(2,3)6-7-14-12-5-9-15-8-4-11(12)10-15/h11-12,14H,4-10H2,1-3H3
InChIKeyCATGKPBHNVQTJQ-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364941
N-octyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105364790
N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 105364559
N-(4-methylsulfanylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364898
3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide
CID 106274781
N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363775
tert-butyl 3-[2-(1-azabicyclo[3.2.1]octan-4-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249052
tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate
CID 107249884
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide
CID 105363868
2-(1-azabicyclo[3.2.1]octan-4-ylamino)acetamide
CID 105363555
N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364456
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid
CID 105366139

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105364921) is N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine is CC(C)(C)CCNC1CCN2CCC1C2.
What is the InChIKey of N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is CATGKPBHNVQTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2,3)6-7-14-12-5-9-15-8-4-11(12)10-15/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 210.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).