1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine

C17H32N2 — CID 155231914

IUPAC1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)C1C=CC(C(C)(C)C)=NC1
InChIInChI=1S/C17H32N2/c1-6-8-13(9-7-2)16(18)14-10-11-15(19-12-14)17(3,4)5/h10-11,13-14,16H,6-9,12,18H2,1-5H3
InChIKeyTWNMIJWSBARWSU-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.20
Rot. Bonds6

About 1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine

1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine (PubChem CID 155231914) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine
PubChem CID155231914
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)C1C=CC(C(C)(C)C)=NC1
InChIInChI=1S/C17H32N2/c1-6-8-13(9-7-2)16(18)14-10-11-15(19-12-14)17(3,4)5/h10-11,13-14,16H,6-9,12,18H2,1-5H3
InChIKeyTWNMIJWSBARWSU-UHFFFAOYSA-N
XLogP4.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine?
The IUPAC name of 1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine (CID 155231914) is 1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine.
What is the SMILES notation for 1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine?
The canonical SMILES for 1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine is CCCC(CCC)C(N)C1C=CC(C(C)(C)C)=NC1.
What is the InChIKey of 1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine?
The InChIKey is TWNMIJWSBARWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-6-8-13(9-7-2)16(18)14-10-11-15(19-12-14)17(3,4)5/h10-11,13-14,16H,6-9,12,18H2,1-5H3.
What are the key properties of 1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine?
1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine has a molecular weight of 264.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-2,3-dihydropyridin-3-yl)-2-propylpentan-1-amine is sourced from PubChem (CID 155231914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).