3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile

C15H24N4 — CID 62893892

IUPAC3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile
SMILESCC(C)N(C)CCCCNCc1cccnc1C#N
InChIInChI=1S/C15H24N4/c1-13(2)19(3)10-5-4-8-17-12-14-7-6-9-18-15(14)11-16/h6-7,9,13,17H,4-5,8,10,12H2,1-3H3
InChIKeySESFWHLWSLYSBK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.16
Rot. Bonds8

About 3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile

3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile (PubChem CID 62893892) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile
PubChem CID62893892
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile
SMILESCC(C)N(C)CCCCNCc1cccnc1C#N
InChIInChI=1S/C15H24N4/c1-13(2)19(3)10-5-4-8-17-12-14-7-6-9-18-15(14)11-16/h6-7,9,13,17H,4-5,8,10,12H2,1-3H3
InChIKeySESFWHLWSLYSBK-UHFFFAOYSA-N
XLogP2.16
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile
CID 107317244
3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile
CID 82939107
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
3-[(4,4,4-trifluorobutylamino)methyl]pyridine-2-carbonitrile
CID 113327330
3-[(2-methylsulfonylethylamino)methyl]pyridine-2-carbonitrile
CID 62894530
N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 106045508
N-(isoquinolin-5-ylmethyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62823909
2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol
CID 112554384
3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893550
N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040849
N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
CID 62762910
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile
CID 62895390

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile (CID 62893892) is 3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile is CC(C)N(C)CCCCNCc1cccnc1C#N.
What is the InChIKey of 3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is SESFWHLWSLYSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-13(2)19(3)10-5-4-8-17-12-14-7-6-9-18-15(14)11-16/h6-7,9,13,17H,4-5,8,10,12H2,1-3H3.
What are the key properties of 3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile?
3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 260.38 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62893892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).