1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine

C16H32N2 — CID 54954604

IUPAC1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine
SMILESCCC(NC1CCN(CC=C(C)C)CC1)C(C)C
InChIInChI=1S/C16H32N2/c1-6-16(14(4)5)17-15-8-11-18(12-9-15)10-7-13(2)3/h7,14-17H,6,8-12H2,1-5H3
InChIKeyBPWZDCRLVNQRJD-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.44
Rot. Bonds6

About 1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine

1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine (PubChem CID 54954604) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine
PubChem CID54954604
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine
SMILESCCC(NC1CCN(CC=C(C)C)CC1)C(C)C
InChIInChI=1S/C16H32N2/c1-6-16(14(4)5)17-15-8-11-18(12-9-15)10-7-13(2)3/h7,14-17H,6,8-12H2,1-5H3
InChIKeyBPWZDCRLVNQRJD-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine (CID 54954604) is 1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine is CCC(NC1CCN(CC=C(C)C)CC1)C(C)C.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine?
The InChIKey is BPWZDCRLVNQRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-16(14(4)5)17-15-8-11-18(12-9-15)10-7-13(2)3/h7,14-17H,6,8-12H2,1-5H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine is sourced from PubChem (CID 54954604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).