7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine

C17H30N2 — CID 105176977

IUPAC7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine
SMILESCCCNC(CCCC(C)C)CCc1ccccn1
InChIInChI=1S/C17H30N2/c1-4-13-18-17(10-7-8-15(2)3)12-11-16-9-5-6-14-19-16/h5-6,9,14-15,17-18H,4,7-8,10-13H2,1-3H3
InChIKeyXAZITQAMNFSVIM-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.21
Rot. Bonds10

About 7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine

7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine (PubChem CID 105176977) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine.

Molecular Properties

Compound Name7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine
PubChem CID105176977
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine
SMILESCCCNC(CCCC(C)C)CCc1ccccn1
InChIInChI=1S/C17H30N2/c1-4-13-18-17(10-7-8-15(2)3)12-11-16-9-5-6-14-19-16/h5-6,9,14-15,17-18H,4,7-8,10-13H2,1-3H3
InChIKeyXAZITQAMNFSVIM-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-N-propyl-1-pyridin-2-ylhexan-3-amine
CID 105190112
N-ethyl-1-pyridin-2-yloctan-3-amine
CID 105129891
N-propyl-1-pyridin-2-yloct-6-yn-3-amine
CID 105181373
1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine
CID 105090087
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650
1-cyclopropyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105157131
9-methyl-N-propyldecan-5-amine
CID 83162126
4-methyl-N-propyl-1-pyridin-2-ylhexan-2-amine
CID 62600384
4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 105157999
N-methyl-1-pyridin-2-yloct-7-yn-3-amine
CID 105179646
N,4-dimethyl-1-pyridin-2-ylheptan-3-amine
CID 107894010
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine?
The IUPAC name of 7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine (CID 105176977) is 7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine.
What is the SMILES notation for 7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine?
The canonical SMILES for 7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine is CCCNC(CCCC(C)C)CCc1ccccn1.
What is the InChIKey of 7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine?
The InChIKey is XAZITQAMNFSVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-13-18-17(10-7-8-15(2)3)12-11-16-9-5-6-14-19-16/h5-6,9,14-15,17-18H,4,7-8,10-13H2,1-3H3.
What are the key properties of 7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine?
7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine has a molecular weight of 262.44 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine is sourced from PubChem (CID 105176977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).