1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine

C16H32N2 — CID 129083216

IUPAC1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine
SMILESC=CCNC(C)(C)CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2/c1-7-10-17-16(5,6)13-14-8-11-18(12-9-14)15(2,3)4/h7,14,17H,1,8-13H2,2-6H3
InChIKeyITXVVRCNDPNQMJ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.44
Rot. Bonds5

About 1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine

1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine (PubChem CID 129083216) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine
PubChem CID129083216
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine
SMILESC=CCNC(C)(C)CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2/c1-7-10-17-16(5,6)13-14-8-11-18(12-9-14)15(2,3)4/h7,14,17H,1,8-13H2,2-6H3
InChIKeyITXVVRCNDPNQMJ-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'}

Analyze 1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine?
The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine (CID 129083216) is 1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine?
The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine is C=CCNC(C)(C)CC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine?
The InChIKey is ITXVVRCNDPNQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-7-10-17-16(5,6)13-14-8-11-18(12-9-14)15(2,3)4/h7,14,17H,1,8-13H2,2-6H3.
What are the key properties of 1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine?
1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-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-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 129083216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).