1-(6-propan-2-yl-3-pyridinyl)azepane

C14H22N2 — CID 156651925

IUPAC1-(6-propan-2-yl-3-pyridinyl)azepane
SMILESCC(C)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C14H22N2/c1-12(2)14-8-7-13(11-15-14)16-9-5-3-4-6-10-16/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyIFGHPGSXIABQHN-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.59
Rot. Bonds2

About 1-(6-propan-2-yl-3-pyridinyl)azepane

1-(6-propan-2-yl-3-pyridinyl)azepane (PubChem CID 156651925) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(6-propan-2-yl-3-pyridinyl)azepane.

Molecular Properties

Compound Name1-(6-propan-2-yl-3-pyridinyl)azepane
PubChem CID156651925
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(6-propan-2-yl-3-pyridinyl)azepane
SMILESCC(C)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C14H22N2/c1-12(2)14-8-7-13(11-15-14)16-9-5-3-4-6-10-16/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyIFGHPGSXIABQHN-UHFFFAOYSA-N
XLogP3.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042
2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine
CID 165372455
5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine
CID 121261462
propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane
CID 172575814
N-methylpropan-2-amine;4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 156652466
N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine
CID 153422507
propan-2-amine;4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 172576033
(1S)-1-[5-(1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
CID 83122995
(1R)-1-[5-(4-piperidin-1-ylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83110821
(1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine
CID 83127542
N-propan-2-yl-5-pyrrolidin-1-ylpyridin-2-amine
CID 115917830
1-[5-(1,1-dioxo-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
CID 114083488

Frequently Asked Questions

What is the IUPAC name of 1-(6-propan-2-yl-3-pyridinyl)azepane?
The IUPAC name of 1-(6-propan-2-yl-3-pyridinyl)azepane (CID 156651925) is 1-(6-propan-2-yl-3-pyridinyl)azepane.
What is the SMILES notation for 1-(6-propan-2-yl-3-pyridinyl)azepane?
The canonical SMILES for 1-(6-propan-2-yl-3-pyridinyl)azepane is CC(C)c1ccc(N2CCCCCC2)cn1.
What is the InChIKey of 1-(6-propan-2-yl-3-pyridinyl)azepane?
The InChIKey is IFGHPGSXIABQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(2)14-8-7-13(11-15-14)16-9-5-3-4-6-10-16/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(6-propan-2-yl-3-pyridinyl)azepane?
1-(6-propan-2-yl-3-pyridinyl)azepane has a molecular weight of 218.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propan-2-yl-3-pyridinyl)azepane is sourced from PubChem (CID 156651925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).