4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine

C13H22N4 — CID 105414086

IUPAC4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine
SMILESCN(CC1(N(C)C)CCC1)c1ccncc1N
InChIInChI=1S/C13H22N4/c1-16(2)13(6-4-7-13)10-17(3)12-5-8-15-9-11(12)14/h5,8-9H,4,6-7,10,14H2,1-3H3
InChIKeyPNGPZLSDXJHNAB-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.58
Rot. Bonds4

About 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine

4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine (PubChem CID 105414086) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine
PubChem CID105414086
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine
SMILESCN(CC1(N(C)C)CCC1)c1ccncc1N
InChIInChI=1S/C13H22N4/c1-16(2)13(6-4-7-13)10-17(3)12-5-8-15-9-11(12)14/h5,8-9H,4,6-7,10,14H2,1-3H3
InChIKeyPNGPZLSDXJHNAB-UHFFFAOYSA-N
XLogP1.58
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 105414177
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-iodo-1-N-methylbenzene-1,2-diamine
CID 105414091
6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine
CID 105414166
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine
CID 62698618
4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
CID 61359414
4-N-(2-methoxyethyl)-4-N-methylpyridine-3,4-diamine
CID 61360000
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485
3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide
CID 105414144
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine
CID 63275542
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,5-dimethylpyridine-2,4-diamine
CID 105414019
4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine
CID 116616296

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine?
The IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine (CID 105414086) is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine?
The canonical SMILES for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine is CN(CC1(N(C)C)CCC1)c1ccncc1N.
What is the InChIKey of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine?
The InChIKey is PNGPZLSDXJHNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16(2)13(6-4-7-13)10-17(3)12-5-8-15-9-11(12)14/h5,8-9H,4,6-7,10,14H2,1-3H3.
What are the key properties of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine?
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 105414086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).