1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine

C12H24N2 — CID 58201019

IUPAC1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine
SMILESC=C(NC1CCN(CC)CC1)C(C)C
InChIInChI=1S/C12H24N2/c1-5-14-8-6-12(7-9-14)13-11(4)10(2)3/h10,12-13H,4-9H2,1-3H3
InChIKeyASNKZRPZGMJUNQ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.23
Rot. Bonds4

About 1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine

1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine (PubChem CID 58201019) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine
PubChem CID58201019
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine
SMILESC=C(NC1CCN(CC)CC1)C(C)C
InChIInChI=1S/C12H24N2/c1-5-14-8-6-12(7-9-14)13-11(4)10(2)3/h10,12-13H,4-9H2,1-3H3
InChIKeyASNKZRPZGMJUNQ-UHFFFAOYSA-N
XLogP2.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine?
The IUPAC name of 1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine (CID 58201019) is 1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine is C=C(NC1CCN(CC)CC1)C(C)C.
What is the InChIKey of 1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine?
The InChIKey is ASNKZRPZGMJUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-14-8-6-12(7-9-14)13-11(4)10(2)3/h10,12-13H,4-9H2,1-3H3.
What are the key properties of 1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine?
1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine has a molecular weight of 196.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine is sourced from PubChem (CID 58201019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).