4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine

C16H30N2 — CID 155739800

IUPAC4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine
SMILESCC(C)CC1CCN(CC#CCNC(C)C)CC1
InChIInChI=1S/C16H30N2/c1-14(2)13-16-7-11-18(12-8-16)10-6-5-9-17-15(3)4/h14-17H,7-13H2,1-4H3
InChIKeyOUVABSGTNARNDS-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.75
Rot. Bonds5

About 4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine

4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine (PubChem CID 155739800) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine
PubChem CID155739800
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine
SMILESCC(C)CC1CCN(CC#CCNC(C)C)CC1
InChIInChI=1S/C16H30N2/c1-14(2)13-16-7-11-18(12-8-16)10-6-5-9-17-15(3)4/h14-17H,7-13H2,1-4H3
InChIKeyOUVABSGTNARNDS-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine?
The IUPAC name of 4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine (CID 155739800) is 4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine.
What is the SMILES notation for 4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine?
The canonical SMILES for 4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine is CC(C)CC1CCN(CC#CCNC(C)C)CC1.
What is the InChIKey of 4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine?
The InChIKey is OUVABSGTNARNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-14(2)13-16-7-11-18(12-8-16)10-6-5-9-17-15(3)4/h14-17H,7-13H2,1-4H3.
What are the key properties of 4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine?
4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine has a molecular weight of 250.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylbut-2-yn-1-amine is sourced from PubChem (CID 155739800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).