N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine

C11H22N2 — CID 134341688

IUPACN-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine
SMILESCCNC1=C(CC(C)C)CCCN1
InChIInChI=1S/C11H22N2/c1-4-12-11-10(8-9(2)3)6-5-7-13-11/h9,12-13H,4-8H2,1-3H3
InChIKeyZTAUPLINKJJKPV-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.24
Rot. Bonds4

About N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine

N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine (PubChem CID 134341688) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine
PubChem CID134341688
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine
SMILESCCNC1=C(CC(C)C)CCCN1
InChIInChI=1S/C11H22N2/c1-4-12-11-10(8-9(2)3)6-5-7-13-11/h9,12-13H,4-8H2,1-3H3
InChIKeyZTAUPLINKJJKPV-UHFFFAOYSA-N
XLogP2.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine?
The IUPAC name of N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine (CID 134341688) is N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine.
What is the SMILES notation for N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine?
The canonical SMILES for N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine is CCNC1=C(CC(C)C)CCCN1.
What is the InChIKey of N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine?
The InChIKey is ZTAUPLINKJJKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-12-11-10(8-9(2)3)6-5-7-13-11/h9,12-13H,4-8H2,1-3H3.
What are the key properties of N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine?
N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine has a molecular weight of 182.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine is sourced from PubChem (CID 134341688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).