N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine

C14H26N2 — CID 156551890

IUPACN-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine
SMILESCCCCC(CNC)CC1=C(C)CCC=N1
InChIInChI=1S/C14H26N2/c1-4-5-8-13(11-15-3)10-14-12(2)7-6-9-16-14/h9,13,15H,4-8,10-11H2,1-3H3
InChIKeyCZKZOQFITNATFT-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.54
Rot. Bonds7

About N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine

N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine (PubChem CID 156551890) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine
PubChem CID156551890
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine
SMILESCCCCC(CNC)CC1=C(C)CCC=N1
InChIInChI=1S/C14H26N2/c1-4-5-8-13(11-15-3)10-14-12(2)7-6-9-16-14/h9,13,15H,4-8,10-11H2,1-3H3
InChIKeyCZKZOQFITNATFT-UHFFFAOYSA-N
XLogP3.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine?
The IUPAC name of N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine (CID 156551890) is N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine.
What is the SMILES notation for N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine?
The canonical SMILES for N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine is CCCCC(CNC)CC1=C(C)CCC=N1.
What is the InChIKey of N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine?
The InChIKey is CZKZOQFITNATFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-5-8-13(11-15-3)10-14-12(2)7-6-9-16-14/h9,13,15H,4-8,10-11H2,1-3H3.
What are the key properties of N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine?
N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine is sourced from PubChem (CID 156551890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).