1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine

C16H32N2 — CID 123740105

IUPAC1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCNC1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C16H32N2/c1-14(2)6-10-17-15-7-11-18(12-8-15)13-9-16(3,4)5/h6,15,17H,7-13H2,1-5H3
InChIKeyBHYNIHSLWRUJDG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.44
Rot. Bonds5

About 1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine

1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 123740105) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID123740105
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCNC1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C16H32N2/c1-14(2)6-10-17-15-7-11-18(12-8-15)13-9-16(3,4)5/h6,15,17H,7-13H2,1-5H3
InChIKeyBHYNIHSLWRUJDG-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of 1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine (CID 123740105) is 1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCNC1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is BHYNIHSLWRUJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2)6-10-17-15-7-11-18(12-8-15)13-9-16(3,4)5/h6,15,17H,7-13H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine?
1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 123740105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).