1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine

C15H29N3 — CID 83986048

IUPAC1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine
SMILESCCC(N)CC1C2C(CN1CC)C1CCN2CC1
InChIInChI=1S/C15H29N3/c1-3-12(16)9-14-15-13(10-17(14)4-2)11-5-7-18(15)8-6-11/h11-15H,3-10,16H2,1-2H3
InChIKeyRHTFGZNGYREVNI-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.53
Rot. Bonds4

About 1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine

1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine (PubChem CID 83986048) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine
PubChem CID83986048
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine
SMILESCCC(N)CC1C2C(CN1CC)C1CCN2CC1
InChIInChI=1S/C15H29N3/c1-3-12(16)9-14-15-13(10-17(14)4-2)11-5-7-18(15)8-6-11/h11-15H,3-10,16H2,1-2H3
InChIKeyRHTFGZNGYREVNI-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine
CID 112541055
ethyl 4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecane-3-carboxylate
CID 83986025
1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine
CID 83983513
methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate
CID 83986068
methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate
CID 83985995
4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecane-3-carbonitrile
CID 112541060
1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine
CID 83983575
1-(1-ethylpiperidin-2-yl)pentan-3-amine
CID 83982198
2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine
CID 112541034
(2S)-1-cyclopentylbutan-2-amine
CID 58736664
cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane
CID 143080326
(2R)-1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)butan-2-amine
CID 130623539

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine?
The IUPAC name of 1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine (CID 83986048) is 1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine.
What is the SMILES notation for 1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine?
The canonical SMILES for 1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine is CCC(N)CC1C2C(CN1CC)C1CCN2CC1.
What is the InChIKey of 1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine?
The InChIKey is RHTFGZNGYREVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-3-12(16)9-14-15-13(10-17(14)4-2)11-5-7-18(15)8-6-11/h11-15H,3-10,16H2,1-2H3.
What are the key properties of 1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine?
1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine is sourced from PubChem (CID 83986048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).