3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol

C14H23N3O — CID 104535126

IUPAC3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1cncc(N(C)CC2CC(O)C2)c1
InChIInChI=1S/C14H23N3O/c1-3-4-16-12-7-13(9-15-8-12)17(2)10-11-5-14(18)6-11/h7-9,11,14,16,18H,3-6,10H2,1-2H3
InChIKeyXBNYAPRFZNZKCG-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.11
Rot. Bonds6

About 3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol

3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol (PubChem CID 104535126) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol
PubChem CID104535126
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1cncc(N(C)CC2CC(O)C2)c1
InChIInChI=1S/C14H23N3O/c1-3-4-16-12-7-13(9-15-8-12)17(2)10-11-5-14(18)6-11/h7-9,11,14,16,18H,3-6,10H2,1-2H3
InChIKeyXBNYAPRFZNZKCG-UHFFFAOYSA-N
XLogP2.11
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

2-[methyl-[5-(propylamino)-3-pyridinyl]amino]ethanol
CID 104532770
5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine
CID 104533314
5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine
CID 104534351
N,N-dimethyl-2-[methyl-[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 104532890
5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine
CID 104533327
5-N-methyl-3-N-propyl-5-N-(3,3,3-trifluoropropyl)pyridine-3,5-diamine
CID 104535065
5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104531987
5-N-[(2-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104533240
3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine
CID 104534547
5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine
CID 113424154
5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104533243
3-N,5-N,5-N-tripropylpyridine-3,5-diamine
CID 104532474

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol (CID 104535126) is 3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol is CCCNc1cncc(N(C)CC2CC(O)C2)c1.
What is the InChIKey of 3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is XBNYAPRFZNZKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-4-16-12-7-13(9-15-8-12)17(2)10-11-5-14(18)6-11/h7-9,11,14,16,18H,3-6,10H2,1-2H3.
What are the key properties of 3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol?
3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 104535126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).