tributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane

C19H39NSn — CID 59915378

IUPACtributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CCCN(C)CC1
InChIInChI=1S/C7H12N.3C4H9.Sn/c1-8-6-4-2-3-5-7-8;3*1-3-4-2;/h2H,4-7H2,1H3;3*1,3-4H2,2H3;
InChIKeyKDRYOPPLAUIWAL-UHFFFAOYSA-N
MW400.24 g/mol
LogP6.03
Rot. Bonds10

About tributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane

tributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane (PubChem CID 59915378) has the molecular formula C19H39NSn and a molecular weight of 400.24 g/mol. Its IUPAC name is tributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane.

Molecular Properties

Compound Nametributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane
PubChem CID59915378
Molecular FormulaC19H39NSn
Molecular Weight400.24 g/mol
Exact Mass401.21
IUPAC Nametributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CCCN(C)CC1
InChIInChI=1S/C7H12N.3C4H9.Sn/c1-8-6-4-2-3-5-7-8;3*1-3-4-2;/h2H,4-7H2,1H3;3*1,3-4H2,2H3;
InChIKeyKDRYOPPLAUIWAL-UHFFFAOYSA-N
XLogP6.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.24
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane
CID 23532914
3-tributylstannylcyclobut-2-en-1-one
CID 10428388
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
tributyl-(1-methylpyrazol-3-yl)stannane
CID 19028447
(6R)-6-methyl-3-tributylstannylcyclohex-2-en-1-one
CID 134959903
6-methyl-3-tributylstannylcyclohex-2-en-1-one
CID 138965334
5-ethyl-1-pentyl-2,3-dihydropyrrole
CID 175503648
3-methyl-8-pentyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
CID 138580533
tributyl(2,3-dihydro-1H-inden-4-yl)stannane
CID 173360447
(3-tributylstannylcyclopent-2-en-1-yl)carbamic acid
CID 68586998
1-methyl-5-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methoxymethyl]-3,6-dihydro-2H-pyridine
CID 23500777
1-butyl-2,3-dihydroindole
CID 4167209

Frequently Asked Questions

What is the IUPAC name of tributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane?
The IUPAC name of tributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane (CID 59915378) is tributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane.
What is the SMILES notation for tributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane?
The canonical SMILES for tributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)C1=CCCN(C)CC1.
What is the InChIKey of tributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane?
The InChIKey is KDRYOPPLAUIWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N.3C4H9.Sn/c1-8-6-4-2-3-5-7-8;3*1-3-4-2;/h2H,4-7H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane?
tributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane has a molecular weight of 400.24 g/mol, XLogP of 6.03, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane is sourced from PubChem (CID 59915378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).