4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine

C17H35N3 — CID 64945821

IUPAC4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine
SMILESCCC1CNC2(CCCCC2)CN1CCCCN(C)C
InChIInChI=1S/C17H35N3/c1-4-16-14-18-17(10-6-5-7-11-17)15-20(16)13-9-8-12-19(2)3/h16,18H,4-15H2,1-3H3
InChIKeyRAAUFMKLQYJDDK-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.71
Rot. Bonds6

About 4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine

4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine (PubChem CID 64945821) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine
PubChem CID64945821
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine
SMILESCCC1CNC2(CCCCC2)CN1CCCCN(C)C
InChIInChI=1S/C17H35N3/c1-4-16-14-18-17(10-6-5-7-11-17)15-20(16)13-9-8-12-19(2)3/h16,18H,4-15H2,1-3H3
InChIKeyRAAUFMKLQYJDDK-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-ethyl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64878514
N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine
CID 64946582
8-ethyl-9-[3-(2-methoxyethoxy)propyl]-6,9-diazaspiro[4.5]decane
CID 103414318
8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane
CID 82947690
3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106733186
9-(2-cyclohexylethyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934961
3-(2,5-diethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64935969
9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64878326
3-(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64935005
3-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)-N,N-dimethylbutan-1-amine
CID 64947270
3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane
CID 113466942
8-ethyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 103016543

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine (CID 64945821) is 4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine is CCC1CNC2(CCCCC2)CN1CCCCN(C)C.
What is the InChIKey of 4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is RAAUFMKLQYJDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-16-14-18-17(10-6-5-7-11-17)15-20(16)13-9-8-12-19(2)3/h16,18H,4-15H2,1-3H3.
What are the key properties of 4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine?
4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 64945821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).