N-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine

C25H45NSn — CID 15316826

IUPACN-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine
SMILESC=CCCN(C[Sn](CCCC)(CCCC)CCCC)[C@H](C)c1ccccc1
InChIInChI=1S/C13H18N.3C4H9.Sn/c1-4-5-11-14(3)12(2)13-9-7-6-8-10-13;3*1-3-4-2;/h4,6-10,12H,1,3,5,11H2,2H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1
InChIKeyGXWUIQMBXYUVEU-HHUWXINPSA-N
MW478.35 g/mol
LogP8.01
Rot. Bonds16

About N-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine

N-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine (PubChem CID 15316826) has the molecular formula C25H45NSn and a molecular weight of 478.35 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine
PubChem CID15316826
Molecular FormulaC25H45NSn
Molecular Weight478.35 g/mol
Exact Mass479.26
IUPAC NameN-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine
SMILESC=CCCN(C[Sn](CCCC)(CCCC)CCCC)[C@H](C)c1ccccc1
InChIInChI=1S/C13H18N.3C4H9.Sn/c1-4-5-11-14(3)12(2)13-9-7-6-8-10-13;3*1-3-4-2;/h4,6-10,12H,1,3,5,11H2,2H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1
InChIKeyGXWUIQMBXYUVEU-HHUWXINPSA-N
XLogP8.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.35
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;N-octadecyl-N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 174860139
2-[pentyl(1-phenylethyl)amino]acetic acid
CID 70551743
N-benzyl-N-(tributylstannylmethyl)butan-1-amine
CID 10766617
tetradec-13-en-7-ylbenzene
CID 140694824
tributyl(1-phenylprop-2-enyl)stannane
CID 11452525
dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
CID 158724514
tributyl(pent-4-enyl)stannane
CID 86003021
oct-1-en-4-ylbenzene
CID 22247233
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
hex-1-ene;toluene
CID 22480689
4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
CID 129034055

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine?
The IUPAC name of N-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine (CID 15316826) is N-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine?
The canonical SMILES for N-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine is C=CCCN(C[Sn](CCCC)(CCCC)CCCC)[C@H](C)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine?
The InChIKey is GXWUIQMBXYUVEU-HHUWXINPSA-N. The full InChI is InChI=1S/C13H18N.3C4H9.Sn/c1-4-5-11-14(3)12(2)13-9-7-6-8-10-13;3*1-3-4-2;/h4,6-10,12H,1,3,5,11H2,2H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1.
What are the key properties of N-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine?
N-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine has a molecular weight of 478.35 g/mol, XLogP of 8.01, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine is sourced from PubChem (CID 15316826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).