1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine

C15H30N2 — CID 55156311

IUPAC1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H30N2/c1-3-16-14(2)13-17-11-9-15(10-12-17)7-5-4-6-8-15/h14,16H,3-13H2,1-2H3
InChIKeyNLYWZTWKINVUFS-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds4

About 1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine

1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine (PubChem CID 55156311) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine
PubChem CID55156311
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H30N2/c1-3-16-14(2)13-17-11-9-15(10-12-17)7-5-4-6-8-15/h14,16H,3-13H2,1-2H3
InChIKeyNLYWZTWKINVUFS-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine
CID 65281511
3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane
CID 64994761
N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]butan-2-amine
CID 63163546
4-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-amine
CID 80544143
3-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)propan-1-ol
CID 64791856
1-(8-azaspiro[4.5]decan-8-yl)butan-2-amine
CID 63160833
1-(3-azaspiro[5.5]undecan-3-yl)pentan-2-amine
CID 62938096
3-(3-azaspiro[5.5]undecan-3-yl)-2-(propan-2-ylamino)propanenitrile
CID 62931463
1-(8-azaspiro[4.5]decan-8-yl)-N-propylpentan-2-amine
CID 63469319
ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate
CID 114279506
3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile
CID 63159213
3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156860444

Frequently Asked Questions

What is the IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine (CID 55156311) is 1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine is CCNC(C)CN1CCC2(CCCCC2)CC1.
What is the InChIKey of 1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine?
The InChIKey is NLYWZTWKINVUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-16-14(2)13-17-11-9-15(10-12-17)7-5-4-6-8-15/h14,16H,3-13H2,1-2H3.
What are the key properties of 1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine?
1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 55156311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).