(E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine

C34H55NOSn — CID 14660998

IUPAC(E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine
SMILESCCCC[Sn](CCCC)(CCCC)COC/C=C/C(C(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H28NO.3C4H9.Sn/c1-19(2)22(15-10-16-24-3)23(17-20-11-6-4-7-12-20)18-21-13-8-5-9-14-21;3*1-3-4-2;/h4-15,19,22H,3,16-18H2,1-2H3;3*1,3-4H2,2H3;/b15-10+;;;;
InChIKeyUORGMVNUHJEDBZ-VYYKFXENSA-N
MW612.53 g/mol
LogP9.67
Rot. Bonds20

About (E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine

(E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine (PubChem CID 14660998) has the molecular formula C34H55NOSn and a molecular weight of 612.53 g/mol. Its IUPAC name is (E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine.

Molecular Properties

Compound Name(E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine
PubChem CID14660998
Molecular FormulaC34H55NOSn
Molecular Weight612.53 g/mol
Exact Mass613.33
IUPAC Name(E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine
SMILESCCCC[Sn](CCCC)(CCCC)COC/C=C/C(C(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H28NO.3C4H9.Sn/c1-19(2)22(15-10-16-24-3)23(17-20-11-6-4-7-12-20)18-21-13-8-5-9-14-21;3*1-3-4-2;/h4-15,19,22H,3,16-18H2,1-2H3;3*1,3-4H2,2H3;/b15-10+;;;;
InChIKeyUORGMVNUHJEDBZ-VYYKFXENSA-N
XLogP9.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.53
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol
CID 14527456
(Z)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol
CID 14527457
(E)-4-(dibenzylamino)-5-methylhex-2-en-1-ol
CID 5368633
tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane
CID 71354444
(1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine
CID 10746492
3-[benzyl(octyl)amino]-4-methylpentanoic acid
CID 23067239
(2S)-2-[(Z)-3-phenylmethoxyprop-1-enyl]heptanoic acid
CID 101175569
N-benzyl-N-(tributylstannylmethyl)butan-1-amine
CID 10766617
1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol
CID 14527450
N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine
CID 160812472
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
(2S,3R)-2-(dibenzylamino)-3-phenylmethoxybutanal
CID 101382719

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine?
The IUPAC name of (E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine (CID 14660998) is (E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine.
What is the SMILES notation for (E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine?
The canonical SMILES for (E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine is CCCC[Sn](CCCC)(CCCC)COC/C=C/C(C(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine?
The InChIKey is UORGMVNUHJEDBZ-VYYKFXENSA-N. The full InChI is InChI=1S/C22H28NO.3C4H9.Sn/c1-19(2)22(15-10-16-24-3)23(17-20-11-6-4-7-12-20)18-21-13-8-5-9-14-21;3*1-3-4-2;/h4-15,19,22H,3,16-18H2,1-2H3;3*1,3-4H2,2H3;/b15-10+;;;;.
What are the key properties of (E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine?
(E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine has a molecular weight of 612.53 g/mol, XLogP of 9.67, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine is sourced from PubChem (CID 14660998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).