1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine

C14H26N2 — CID 83983513

IUPAC1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine
SMILESCCC(N)CC1CC2C3CCN(CC3)C2C1
InChIInChI=1S/C14H26N2/c1-2-12(15)7-10-8-13-11-3-5-16(6-4-11)14(13)9-10/h10-14H,2-9,15H2,1H3
InChIKeyUZVJURGZPWLCKV-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.23
Rot. Bonds3

About 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine

1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine (PubChem CID 83983513) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine
PubChem CID83983513
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine
SMILESCCC(N)CC1CC2C3CCN(CC3)C2C1
InChIInChI=1S/C14H26N2/c1-2-12(15)7-10-8-13-11-3-5-16(6-4-11)14(13)9-10/h10-14H,2-9,15H2,1H3
InChIKeyUZVJURGZPWLCKV-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 83983520
1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine
CID 83986048
(2S)-1-cyclopentylbutan-2-amine
CID 58736664
cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane
CID 143080326
1-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)butan-2-amine
CID 167488948
3-(2-cyclohexylethyl)-5-ethyl-1-[4-(2-pyrrolidin-1-ylcyclopropyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 145486174
1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine
CID 83983575
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]butan-2-amine
CID 83981425
4-propyl-2-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 63468765
1-(1-methylpyrrolidin-3-yl)pentan-3-amine
CID 83980580
1-cyclobutyl-4-ethylhexan-2-amine
CID 103169365
2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine
CID 55117690

Frequently Asked Questions

What is the IUPAC name of 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine?
The IUPAC name of 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine (CID 83983513) is 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine.
What is the SMILES notation for 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine?
The canonical SMILES for 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine is CCC(N)CC1CC2C3CCN(CC3)C2C1.
What is the InChIKey of 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine?
The InChIKey is UZVJURGZPWLCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-12(15)7-10-8-13-11-3-5-16(6-4-11)14(13)9-10/h10-14H,2-9,15H2,1H3.
What are the key properties of 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine?
1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine has a molecular weight of 222.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine is sourced from PubChem (CID 83983513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).