3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine

C37H55NOSn — CID 171108726

IUPAC3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine
SMILESCCCC[Sn](CCCC)(CCCC)COCC(C)(C)C(N)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28NO.3C4H9.Sn/c1-24(2,19-27-3)23(26)25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;3*1-3-4-2;/h4-18,23H,3,19,26H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyYRSLZXUDYQQQEB-UHFFFAOYSA-N
MW648.56 g/mol
LogP9.78
Rot. Bonds18

About 3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine

3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine (PubChem CID 171108726) has the molecular formula C37H55NOSn and a molecular weight of 648.56 g/mol. Its IUPAC name is 3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine
PubChem CID171108726
Molecular FormulaC37H55NOSn
Molecular Weight648.56 g/mol
Exact Mass649.33
IUPAC Name3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine
SMILESCCCC[Sn](CCCC)(CCCC)COCC(C)(C)C(N)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28NO.3C4H9.Sn/c1-24(2,19-27-3)23(26)25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;3*1-3-4-2;/h4-18,23H,3,19,26H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyYRSLZXUDYQQQEB-UHFFFAOYSA-N
XLogP9.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.56
LogP ≤ 59.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1,1,1-triphenylhexan-2-amine
CID 164823082
(E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol
CID 14527456
(Z)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol
CID 14527457
N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine
CID 160812472
(2S)-2-phenylhexan-2-amine
CID 10889241
tert-butylbenzene;hexane
CID 175254424
tributyl(2-phenoxyethyl)stannane
CID 67611861
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309
1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol
CID 14527450
2-phenyldecan-2-amine
CID 63408050
2-methyl-2-phenylnonan-3-amine
CID 63420123
2,2-diphenyloctadecan-3-amine;hydrochloride
CID 173427037

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine (CID 171108726) is 3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine is CCCC[Sn](CCCC)(CCCC)COCC(C)(C)C(N)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine?
The InChIKey is YRSLZXUDYQQQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28NO.3C4H9.Sn/c1-24(2,19-27-3)23(26)25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;3*1-3-4-2;/h4-18,23H,3,19,26H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of 3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine?
3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine has a molecular weight of 648.56 g/mol, XLogP of 9.78, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine is sourced from PubChem (CID 171108726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).