1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine

C17H30N2 — CID 105137878

IUPAC1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)c1ccc(C)nc1C
InChIInChI=1S/C17H30N2/c1-6-8-13(3)12-17(18-11-7-2)16-10-9-14(4)19-15(16)5/h9-10,13,17-18H,6-8,11-12H2,1-5H3
InChIKeyCQPYNYZBJZYMSY-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.57
Rot. Bonds8

About 1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine

1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine (PubChem CID 105137878) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine
PubChem CID105137878
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)c1ccc(C)nc1C
InChIInChI=1S/C17H30N2/c1-6-8-13(3)12-17(18-11-7-2)16-10-9-14(4)19-15(16)5/h9-10,13,17-18H,6-8,11-12H2,1-5H3
InChIKeyCQPYNYZBJZYMSY-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
CID 63413299
1-(2,6-dimethyl-3-pyridinyl)-N-ethylbutan-1-amine
CID 105080327
1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine
CID 105080249
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
1-(3-bromo-2-methylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845363
N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 105138910
3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 106755154
1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine
CID 107011930
N,3-dimethyl-1-(6-methyl-2-pyridinyl)hexan-1-amine
CID 63553639
3-methyl-1-(4-methylsulfanylphenyl)-N-propylhexan-1-amine
CID 115845374
3-methyl-N-propyl-1-quinolin-4-ylhexan-1-amine
CID 105137955

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine (CID 105137878) is 1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine is CCCNC(CC(C)CCC)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine?
The InChIKey is CQPYNYZBJZYMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-8-13(3)12-17(18-11-7-2)16-10-9-14(4)19-15(16)5/h9-10,13,17-18H,6-8,11-12H2,1-5H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine?
1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 105137878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).