N-(2-methylidenebutyl)-1-propylpiperidin-4-amine

C13H26N2 — CID 66044504

IUPACN-(2-methylidenebutyl)-1-propylpiperidin-4-amine
SMILESC=C(CC)CNC1CCN(CCC)CC1
InChIInChI=1S/C13H26N2/c1-4-8-15-9-6-13(7-10-15)14-11-12(3)5-2/h13-14H,3-11H2,1-2H3
InChIKeyFKQDNBKRSWIUTO-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.42
Rot. Bonds6

About N-(2-methylidenebutyl)-1-propylpiperidin-4-amine

N-(2-methylidenebutyl)-1-propylpiperidin-4-amine (PubChem CID 66044504) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(2-methylidenebutyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylidenebutyl)-1-propylpiperidin-4-amine
PubChem CID66044504
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(2-methylidenebutyl)-1-propylpiperidin-4-amine
SMILESC=C(CC)CNC1CCN(CCC)CC1
InChIInChI=1S/C13H26N2/c1-4-8-15-9-6-13(7-10-15)14-11-12(3)5-2/h13-14H,3-11H2,1-2H3
InChIKeyFKQDNBKRSWIUTO-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.42
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 N-(2-methylidenebutyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(2-methylidenebutyl)-1-propylpiperidin-4-amine (CID 66044504) is N-(2-methylidenebutyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(2-methylidenebutyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(2-methylidenebutyl)-1-propylpiperidin-4-amine is C=C(CC)CNC1CCN(CCC)CC1.
What is the InChIKey of N-(2-methylidenebutyl)-1-propylpiperidin-4-amine?
The InChIKey is FKQDNBKRSWIUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-8-15-9-6-13(7-10-15)14-11-12(3)5-2/h13-14H,3-11H2,1-2H3.
What are the key properties of N-(2-methylidenebutyl)-1-propylpiperidin-4-amine?
N-(2-methylidenebutyl)-1-propylpiperidin-4-amine has a molecular weight of 210.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenebutyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 66044504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).