1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine

C16H37GaN4 — CID 173385335

IUPAC1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine
SMILESCCC(CCN1CCN(CCC(CC)N(C)C)[GaH]1)N(C)C
InChIInChI=1S/C16H36N4.Ga.H/c1-7-15(19(3)4)9-11-17-13-14-18-12-10-16(8-2)20(5)6;;/h15-16H,7-14H2,1-6H3;;/q-2;+2;
InChIKeyYJVUQPHAYXELKU-UHFFFAOYSA-N
MW355.22 g/mol
LogP1.33
Rot. Bonds10

About 1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine

1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine (PubChem CID 173385335) has the molecular formula C16H37GaN4 and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine
PubChem CID173385335
Molecular FormulaC16H37GaN4
Molecular Weight355.22 g/mol
Exact Mass354.23
IUPAC Name1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine
SMILESCCC(CCN1CCN(CCC(CC)N(C)C)[GaH]1)N(C)C
InChIInChI=1S/C16H36N4.Ga.H/c1-7-15(19(3)4)9-11-17-13-14-18-12-10-16(8-2)20(5)6;;/h15-16H,7-14H2,1-6H3;;/q-2;+2;
InChIKeyYJVUQPHAYXELKU-UHFFFAOYSA-N
XLogP1.33
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine?
The IUPAC name of 1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine (CID 173385335) is 1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine.
What is the SMILES notation for 1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine?
The canonical SMILES for 1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine is CCC(CCN1CCN(CCC(CC)N(C)C)[GaH]1)N(C)C.
What is the InChIKey of 1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine?
The InChIKey is YJVUQPHAYXELKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4.Ga.H/c1-7-15(19(3)4)9-11-17-13-14-18-12-10-16(8-2)20(5)6;;/h15-16H,7-14H2,1-6H3;;/q-2;+2;.
What are the key properties of 1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine?
1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine has a molecular weight of 355.22 g/mol, XLogP of 1.33, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(dimethylamino)pentyl]-1,3,2-diazagallolidin-1-yl]-N,N-dimethylpentan-3-amine is sourced from PubChem (CID 173385335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).