N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine

C14H28N2 — CID 86804399

IUPACN-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1CCC(NCCC(C)(C)C)CC1
InChIInChI=1S/C14H28N2/c1-5-10-16-11-6-13(7-12-16)15-9-8-14(2,3)4/h5,13,15H,1,6-12H2,2-4H3
InChIKeyNHYHOGBGXKFUSC-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds5

About N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine

N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine (PubChem CID 86804399) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine
PubChem CID86804399
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1CCC(NCCC(C)(C)C)CC1
InChIInChI=1S/C14H28N2/c1-5-10-16-11-6-13(7-12-16)15-9-8-14(2,3)4/h5,13,15H,1,6-12H2,2-4H3
InChIKeyNHYHOGBGXKFUSC-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
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 N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine (CID 86804399) is N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine is C=CCN1CCC(NCCC(C)(C)C)CC1.
What is the InChIKey of N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine?
The InChIKey is NHYHOGBGXKFUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-10-16-11-6-13(7-12-16)15-9-8-14(2,3)4/h5,13,15H,1,6-12H2,2-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine?
N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 86804399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).