(E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine

C27H49NOSn — CID 15305736

IUPAC(E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine
SMILESCCCC[Sn](CCCC)(CCCC)CN(CC/C=C(\C)COC)Cc1ccccc1
InChIInChI=1S/C15H22NO.3C4H9.Sn/c1-14(13-17-3)8-7-11-16(2)12-15-9-5-4-6-10-15;3*1-3-4-2;/h4-6,8-10H,2,7,11-13H2,1,3H3;3*1,3-4H2,2H3;/b14-8+;;;;
InChIKeyYFAFGCJFEZWTEE-HXVBAQSJSA-N
MW522.41 g/mol
LogP7.86
Rot. Bonds18

About (E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine

(E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine (PubChem CID 15305736) has the molecular formula C27H49NOSn and a molecular weight of 522.41 g/mol. Its IUPAC name is (E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine
PubChem CID15305736
Molecular FormulaC27H49NOSn
Molecular Weight522.41 g/mol
Exact Mass523.28
IUPAC Name(E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine
SMILESCCCC[Sn](CCCC)(CCCC)CN(CC/C=C(\C)COC)Cc1ccccc1
InChIInChI=1S/C15H22NO.3C4H9.Sn/c1-14(13-17-3)8-7-11-16(2)12-15-9-5-4-6-10-15;3*1-3-4-2;/h4-6,8-10H,2,7,11-13H2,1,3H3;3*1,3-4H2,2H3;/b14-8+;;;;
InChIKeyYFAFGCJFEZWTEE-HXVBAQSJSA-N
XLogP7.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.41
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(tributylstannylmethyl)butan-1-amine
CID 10766617
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine
CID 57298198
N-[(4-methoxyphenyl)methyl]-N-(tributylstannylmethyl)acetamide
CID 10528779
N-benzyl-N-(methoxymethyl)propan-1-amine
CID 90983787
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride
CID 173426677
N,N-dibenzyldodecan-1-amine
CID 11508874
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N,N-dibenzylpropan-1-amine
CID 10840212
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N,N-dibenzyl-2-methylbut-2-en-1-amine
CID 78088479
N-benzyl-N-propylhexan-1-amine
CID 123983090

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine (CID 15305736) is (E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine is CCCC[Sn](CCCC)(CCCC)CN(CC/C=C(\C)COC)Cc1ccccc1.
What is the InChIKey of (E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine?
The InChIKey is YFAFGCJFEZWTEE-HXVBAQSJSA-N. The full InChI is InChI=1S/C15H22NO.3C4H9.Sn/c1-14(13-17-3)8-7-11-16(2)12-15-9-5-4-6-10-15;3*1-3-4-2;/h4-6,8-10H,2,7,11-13H2,1,3H3;3*1,3-4H2,2H3;/b14-8+;;;;.
What are the key properties of (E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine?
(E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine has a molecular weight of 522.41 g/mol, XLogP of 7.86, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine is sourced from PubChem (CID 15305736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).