4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline

C16H24N2 — CID 106314952

IUPAC4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline
SMILESCC1=CCCN(CCC(C)c2ccc(N)cc2)C1
InChIInChI=1S/C16H24N2/c1-13-4-3-10-18(12-13)11-9-14(2)15-5-7-16(17)8-6-15/h4-8,14H,3,9-12,17H2,1-2H3
InChIKeyFSEAINSYYKZSEW-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.41
Rot. Bonds4

About 4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline

4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline (PubChem CID 106314952) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline
PubChem CID106314952
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline
SMILESCC1=CCCN(CCC(C)c2ccc(N)cc2)C1
InChIInChI=1S/C16H24N2/c1-13-4-3-10-18(12-13)11-9-14(2)15-5-7-16(17)8-6-15/h4-8,14H,3,9-12,17H2,1-2H3
InChIKeyFSEAINSYYKZSEW-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315085
4-[4-(4-methyl-1,4-diazepan-1-yl)butan-2-yl]aniline
CID 104501420
4-[4-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]aniline
CID 104501653
4-[4-(1,4-oxazepan-4-yl)butan-2-yl]aniline
CID 113419983
4-[4-(3,3-diethylpyrrolidin-1-yl)butan-2-yl]aniline
CID 104501748
5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine
CID 53316629
4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline
CID 106314850
4-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-yl]aniline
CID 104501664
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-amine
CID 106314964
7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine
CID 106315033
2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine
CID 106316650
4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline
CID 104501614

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline?
The IUPAC name of 4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline (CID 106314952) is 4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline.
What is the SMILES notation for 4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline?
The canonical SMILES for 4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline is CC1=CCCN(CCC(C)c2ccc(N)cc2)C1.
What is the InChIKey of 4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline?
The InChIKey is FSEAINSYYKZSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-4-3-10-18(12-13)11-9-14(2)15-5-7-16(17)8-6-15/h4-8,14H,3,9-12,17H2,1-2H3.
What are the key properties of 4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline?
4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline has a molecular weight of 244.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline is sourced from PubChem (CID 106314952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).