N-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine

C13H26N2 — CID 58201077

IUPACN-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine
SMILESC=C(NC1CCN(C(C)C)CC1)C(C)C
InChIInChI=1S/C13H26N2/c1-10(2)12(5)14-13-6-8-15(9-7-13)11(3)4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyDWRJYUXSYMJBIS-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.62
Rot. Bonds4

About N-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine

N-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 58201077) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine
PubChem CID58201077
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine
SMILESC=C(NC1CCN(C(C)C)CC1)C(C)C
InChIInChI=1S/C13H26N2/c1-10(2)12(5)14-13-6-8-15(9-7-13)11(3)4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyDWRJYUXSYMJBIS-UHFFFAOYSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine (CID 58201077) is N-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine is C=C(NC1CCN(C(C)C)CC1)C(C)C.
What is the InChIKey of N-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is DWRJYUXSYMJBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)12(5)14-13-6-8-15(9-7-13)11(3)4/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of N-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine?
N-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 210.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 58201077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).