4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile

C16H29N3 — CID 62930945

IUPAC4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile
SMILESCNC(C)(C#N)CCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H29N3/c1-15(14-17,18-2)8-11-19-12-9-16(10-13-19)6-4-3-5-7-16/h18H,3-13H2,1-2H3
InChIKeyAAVSNBOPDNYPGT-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.92
Rot. Bonds4

About 4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile

4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile (PubChem CID 62930945) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile
PubChem CID62930945
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile
SMILESCNC(C)(C#N)CCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H29N3/c1-15(14-17,18-2)8-11-19-12-9-16(10-13-19)6-4-3-5-7-16/h18H,3-13H2,1-2H3
InChIKeyAAVSNBOPDNYPGT-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 63008625
4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid
CID 63159226
4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 63159395
N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 63502262
5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 63217429
1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-N-methylcyclohexan-1-amine
CID 65241886
5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine
CID 55157288
6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile
CID 107394621
5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 55157283
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-dimethylpentan-1-amine
CID 63494161
3-prop-2-enyl-3-azaspiro[5.5]undecane
CID 125489505
3-(3-azaspiro[5.5]undecan-3-yl)-2-(propan-2-ylamino)propanenitrile
CID 62931463

Frequently Asked Questions

What is the IUPAC name of 4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile?
The IUPAC name of 4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile (CID 62930945) is 4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile.
What is the SMILES notation for 4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile?
The canonical SMILES for 4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile is CNC(C)(C#N)CCN1CCC2(CCCCC2)CC1.
What is the InChIKey of 4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile?
The InChIKey is AAVSNBOPDNYPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-15(14-17,18-2)8-11-19-12-9-16(10-13-19)6-4-3-5-7-16/h18H,3-13H2,1-2H3.
What are the key properties of 4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile?
4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile has a molecular weight of 263.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile is sourced from PubChem (CID 62930945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).