2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine

C14H24N2O — CID 65248803

IUPAC2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine
SMILESCC(C)(CN)CCOCCCc1ccncc1
InChIInChI=1S/C14H24N2O/c1-14(2,12-15)7-11-17-10-3-4-13-5-8-16-9-6-13/h5-6,8-9H,3-4,7,10-12,15H2,1-2H3
InChIKeyXVWSWVNQTIUMOT-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.41
Rot. Bonds8

About 2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine

2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine (PubChem CID 65248803) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine
PubChem CID65248803
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine
SMILESCC(C)(CN)CCOCCCc1ccncc1
InChIInChI=1S/C14H24N2O/c1-14(2,12-15)7-11-17-10-3-4-13-5-8-16-9-6-13/h5-6,8-9H,3-4,7,10-12,15H2,1-2H3
InChIKeyXVWSWVNQTIUMOT-UHFFFAOYSA-N
XLogP2.41
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine
CID 104560395
methyl 3-(3-pyridin-4-ylpropoxy)propanoate
CID 29006354
[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine
CID 80729712
2,2-dimethyl-4-propoxybutan-1-amine
CID 65248577
4-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine
CID 20768993
3-bromo-5-(3-pyridin-4-ylpropoxymethyl)aniline
CID 103350319
[3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 107105932
1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine
CID 55243631
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 65338927
4-(2-ethoxyethoxy)-2,2-dimethylbutan-1-amine
CID 65249201
[6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine
CID 81254097

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine?
The IUPAC name of 2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine (CID 65248803) is 2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine is CC(C)(CN)CCOCCCc1ccncc1.
What is the InChIKey of 2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine?
The InChIKey is XVWSWVNQTIUMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,12-15)7-11-17-10-3-4-13-5-8-16-9-6-13/h5-6,8-9H,3-4,7,10-12,15H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine?
2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine is sourced from PubChem (CID 65248803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).