3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine

C17H32N2 — CID 150685540

IUPAC3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine
SMILESCC=CNN1C(C)(C)CC(C)C(C(C)=CC)C1(C)C
InChIInChI=1S/C17H32N2/c1-9-11-18-19-16(5,6)12-14(4)15(13(3)10-2)17(19,7)8/h9-11,14-15,18H,12H2,1-8H3
InChIKeyJITZBOPIGWLTDP-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.51
Rot. Bonds3

About 3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine

3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine (PubChem CID 150685540) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine.

Molecular Properties

Compound Name3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine
PubChem CID150685540
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine
SMILESCC=CNN1C(C)(C)CC(C)C(C(C)=CC)C1(C)C
InChIInChI=1S/C17H32N2/c1-9-11-18-19-16(5,6)12-14(4)15(13(3)10-2)17(19,7)8/h9-11,14-15,18H,12H2,1-8H3
InChIKeyJITZBOPIGWLTDP-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane;ethenamine
CID 142205316
3-But-2-en-2-yl-2,2,4,6,6-pentamethyl-1-(prop-1-enylamino)piperidine-4-carbonitrile
CID 151531145
3-butyl-N-(3,4-dimethylpentan-2-yl)-6-[(Z,2R)-hept-3-en-2-yl]-2,2-dimethylpiperazin-1-amine
CID 164120910

Frequently Asked Questions

What is the IUPAC name of 3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine?
The IUPAC name of 3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine (CID 150685540) is 3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine.
What is the SMILES notation for 3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine?
The canonical SMILES for 3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine is CC=CNN1C(C)(C)CC(C)C(C(C)=CC)C1(C)C.
What is the InChIKey of 3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine?
The InChIKey is JITZBOPIGWLTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-9-11-18-19-16(5,6)12-14(4)15(13(3)10-2)17(19,7)8/h9-11,14-15,18H,12H2,1-8H3.
What are the key properties of 3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine?
3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine has a molecular weight of 264.46 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine is sourced from PubChem (CID 150685540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).