4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine

C13H24N4 — CID 113291301

IUPAC4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCNC(CCN(C)C)Cc1cnccc1N
InChIInChI=1S/C13H24N4/c1-4-16-12(6-8-17(2)3)9-11-10-15-7-5-13(11)14/h5,7,10,12,16H,4,6,8-9H2,1-3H3,(H2,14,15)
InChIKeyKQTIZOGSVNDRGG-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.14
Rot. Bonds7

About 4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine

4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 113291301) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID113291301
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCNC(CCN(C)C)Cc1cnccc1N
InChIInChI=1S/C13H24N4/c1-4-16-12(6-8-17(2)3)9-11-10-15-7-5-13(11)14/h5,7,10,12,16H,4,6,8-9H2,1-3H3,(H2,14,15)
InChIKeyKQTIZOGSVNDRGG-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine (CID 113291301) is 4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine is CCNC(CCN(C)C)Cc1cnccc1N.
What is the InChIKey of 4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is KQTIZOGSVNDRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-16-12(6-8-17(2)3)9-11-10-15-7-5-13(11)14/h5,7,10,12,16H,4,6,8-9H2,1-3H3,(H2,14,15).
What are the key properties of 4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine?
4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 113291301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).