2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine

C17H32N2 — CID 20561179

IUPAC2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine
SMILESCC(C)=CCN1C(C)(C)CC(N)CC12CCCCC2
InChIInChI=1S/C17H32N2/c1-14(2)8-11-19-16(3,4)12-15(18)13-17(19)9-6-5-7-10-17/h8,15H,5-7,9-13,18H2,1-4H3
InChIKeyNONVRYDLXVMQGN-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.86
Rot. Bonds2

About 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine

2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine (PubChem CID 20561179) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine
PubChem CID20561179
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine
SMILESCC(C)=CCN1C(C)(C)CC(N)CC12CCCCC2
InChIInChI=1S/C17H32N2/c1-14(2)8-11-19-16(3,4)12-15(18)13-17(19)9-6-5-7-10-17/h8,15H,5-7,9-13,18H2,1-4H3
InChIKeyNONVRYDLXVMQGN-UHFFFAOYSA-N
XLogP3.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-2,3-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine
CID 20270972
2-Ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 20501051
2,2-Diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-amine
CID 20501057
2,2-Dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine
CID 20501060
2-Ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine
CID 20501062
2,2,6,6-Tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 20501078
2,2-Diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 20501096
1,2,2,6,6-Pentakis(prop-2-enyl)piperidin-4-amine
CID 68771179
N-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine
CID 155672942
2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine
CID 163856828
1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine
CID 43761518
1-(3-methylbut-2-enyl)-N-(2-methylcyclohexyl)piperidin-4-amine
CID 43763437

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine?
The IUPAC name of 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine (CID 20561179) is 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine.
What is the SMILES notation for 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine?
The canonical SMILES for 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine is CC(C)=CCN1C(C)(C)CC(N)CC12CCCCC2.
What is the InChIKey of 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine?
The InChIKey is NONVRYDLXVMQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-14(2)8-11-19-16(3,4)12-15(18)13-17(19)9-6-5-7-10-17/h8,15H,5-7,9-13,18H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine?
2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine has a molecular weight of 264.46 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 20561179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).