N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine

C16H34N2 — CID 62091294

IUPACN-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-15(2,3)14-8-12-18(13-9-14)11-7-10-17-16(4,5)6/h14,17H,7-13H2,1-6H3
InChIKeyKFMPZYBAGQDSAI-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds4

About N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine

N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine (PubChem CID 62091294) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
PubChem CID62091294
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-15(2,3)14-8-12-18(13-9-14)11-7-10-17-16(4,5)6/h14,17H,7-13H2,1-6H3
InChIKeyKFMPZYBAGQDSAI-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine (CID 62091294) is N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is KFMPZYBAGQDSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-15(2,3)14-8-12-18(13-9-14)11-7-10-17-16(4,5)6/h14,17H,7-13H2,1-6H3.
What are the key properties of N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine?
N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62091294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).