4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine

C15H27N3O — CID 107159121

IUPAC4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine
SMILESCCCOc1cccnc1NCC(N)CC(C)(C)C
InChIInChI=1S/C15H27N3O/c1-5-9-19-13-7-6-8-17-14(13)18-11-12(16)10-15(2,3)4/h6-8,12H,5,9-11,16H2,1-4H3,(H,17,18)
InChIKeyMWBYBCCDHBJYHJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.05
Rot. Bonds7

About 4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine

4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine (PubChem CID 107159121) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine
PubChem CID107159121
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine
SMILESCCCOc1cccnc1NCC(N)CC(C)(C)C
InChIInChI=1S/C15H27N3O/c1-5-9-19-13-7-6-8-17-14(13)18-11-12(16)10-15(2,3)4/h6-8,12H,5,9-11,16H2,1-4H3,(H,17,18)
InChIKeyMWBYBCCDHBJYHJ-UHFFFAOYSA-N
XLogP3.05
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(5-methoxyisoquinolin-1-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159175
N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine
CID 113479021
2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine
CID 106142911
N-pent-4-ynyl-3-propoxypyridin-2-amine
CID 106222583
4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine
CID 107159102
N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
CID 106900046
2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
CID 106185999
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
N-pent-3-ynyl-3-propoxypyridin-2-amine
CID 116644405
4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol
CID 114332578
N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine
CID 113370934
3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine
CID 114155004

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine?
The IUPAC name of 4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine (CID 107159121) is 4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine.
What is the SMILES notation for 4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine?
The canonical SMILES for 4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine is CCCOc1cccnc1NCC(N)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine?
The InChIKey is MWBYBCCDHBJYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-9-19-13-7-6-8-17-14(13)18-11-12(16)10-15(2,3)4/h6-8,12H,5,9-11,16H2,1-4H3,(H,17,18).
What are the key properties of 4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine?
4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine is sourced from PubChem (CID 107159121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).