5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine

C13H24N4 — CID 104534054

IUPAC5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine
SMILESCC(C)N(C)CCCCNc1cncc(N)c1
InChIInChI=1S/C13H24N4/c1-11(2)17(3)7-5-4-6-16-13-8-12(14)9-15-10-13/h8-11,16H,4-7,14H2,1-3H3
InChIKeyVZNHDRVWDXPJDL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.20
Rot. Bonds7

About 5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine

5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine (PubChem CID 104534054) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine
PubChem CID104534054
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine
SMILESCC(C)N(C)CCCCNc1cncc(N)c1
InChIInChI=1S/C13H24N4/c1-11(2)17(3)7-5-4-6-16-13-8-12(14)9-15-10-13/h8-11,16H,4-7,14H2,1-3H3
InChIKeyVZNHDRVWDXPJDL-UHFFFAOYSA-N
XLogP2.20
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-N-decylpyridine-3,5-diamine
CID 104535317
3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide
CID 104533999
4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036365
N-[3-[(5-amino-3-pyridinyl)amino]propyl]methanesulfonamide
CID 106332321
2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide
CID 104532985
5-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3,5-diamine
CID 104534598
4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80816494
5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine
CID 104534747
5-N-ethylpyridine-3,5-diamine
CID 104532571
6-N-[4-[methyl(propan-2-yl)amino]butyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718227
2-[(5-amino-3-pyridinyl)amino]ethanol;hydrochloride
CID 175403125
2-tert-butyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80967129

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine?
The IUPAC name of 5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine (CID 104534054) is 5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine.
What is the SMILES notation for 5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine?
The canonical SMILES for 5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine is CC(C)N(C)CCCCNc1cncc(N)c1.
What is the InChIKey of 5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine?
The InChIKey is VZNHDRVWDXPJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)17(3)7-5-4-6-16-13-8-12(14)9-15-10-13/h8-11,16H,4-7,14H2,1-3H3.
What are the key properties of 5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine?
5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine is sourced from PubChem (CID 104534054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).