3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine

C15H27N3O — CID 43678972

IUPAC3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCCC(CCC)Nc1c(N(C)C)ccnc1OC
InChIInChI=1S/C15H27N3O/c1-6-8-12(9-7-2)17-14-13(18(3)4)10-11-16-15(14)19-5/h10-12,17H,6-9H2,1-5H3
InChIKeyMQNKIRXMWYYIGY-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.54
Rot. Bonds8

About 3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 43678972) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID43678972
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCCC(CCC)Nc1c(N(C)C)ccnc1OC
InChIInChI=1S/C15H27N3O/c1-6-8-12(9-7-2)17-14-13(18(3)4)10-11-16-15(14)19-5/h10-12,17H,6-9H2,1-5H3
InChIKeyMQNKIRXMWYYIGY-UHFFFAOYSA-N
XLogP3.54
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine
CID 43678979
2-amino-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pentanamide
CID 43701419
2-methoxy-3-N-(4-methoxy-4-methylpentan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678871
3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol
CID 65337596
2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid
CID 66174302
2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine
CID 43779993
3-N-[1-(furan-2-yl)propan-2-yl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 63098550
1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea
CID 75449648
2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
CID 43678938
3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678920
2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine
CID 43679012
2-methoxy-4-N,4-N-dimethyl-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 43678884

Frequently Asked Questions

What is the IUPAC name of 3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine (CID 43678972) is 3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine is CCCC(CCC)Nc1c(N(C)C)ccnc1OC.
What is the InChIKey of 3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is MQNKIRXMWYYIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-8-12(9-7-2)17-14-13(18(3)4)10-11-16-15(14)19-5/h10-12,17H,6-9H2,1-5H3.
What are the key properties of 3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 265.40 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 43678972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).