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

C26H47NOSn — CID 15305734

IUPAC(E)-N-benzyl-5-methoxy-N-(tributylstannylmethyl)pent-3-en-1-amine
SMILESCCCC[Sn](CCCC)(CCCC)CN(CC/C=C/COC)Cc1ccccc1
InChIInChI=1S/C14H20NO.3C4H9.Sn/c1-15(11-7-4-8-12-16-2)13-14-9-5-3-6-10-14;3*1-3-4-2;/h3-6,8-10H,1,7,11-13H2,2H3;3*1,3-4H2,2H3;/b8-4+;;;;
InChIKeyIOJCPJCVUYVSGN-IPAOSVGWSA-N
MW508.38 g/mol
LogP7.47
Rot. Bonds18

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

(E)-N-benzyl-5-methoxy-N-(tributylstannylmethyl)pent-3-en-1-amine (PubChem CID 15305734) has the molecular formula C26H47NOSn and a molecular weight of 508.38 g/mol. Its IUPAC name is (E)-N-benzyl-5-methoxy-N-(tributylstannylmethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-benzyl-5-methoxy-N-(tributylstannylmethyl)pent-3-en-1-amine
PubChem CID15305734
Molecular FormulaC26H47NOSn
Molecular Weight508.38 g/mol
Exact Mass509.27
IUPAC Name(E)-N-benzyl-5-methoxy-N-(tributylstannylmethyl)pent-3-en-1-amine
SMILESCCCC[Sn](CCCC)(CCCC)CN(CC/C=C/COC)Cc1ccccc1
InChIInChI=1S/C14H20NO.3C4H9.Sn/c1-15(11-7-4-8-12-16-2)13-14-9-5-3-6-10-14;3*1-3-4-2;/h3-6,8-10H,1,7,11-13H2,2H3;3*1,3-4H2,2H3;/b8-4+;;;;
InChIKeyIOJCPJCVUYVSGN-IPAOSVGWSA-N
XLogP7.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.38
LogP ≤ 57.47
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

Benzyltrimethylammonium methoxide
CID 8504
Myristalkonium ion
CID 8756
Benzalkonium
CID 2330
Cetalkonium
CID 31203
Benzododecinium
CID 8754
Benzyltributylammonium chloride
CID 159952
3-(N-Benzyl-N-methylamino)propan-1-ol
CID 79884
1-benzyl-5-methoxy-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 11481653
Benzylcetyldimethylammonium chloride hydrate
CID 16211261
N,N-dimethyl-N-octadecylbenzylammonium
CID 31205
Benzenemethanaminium, N,N,N-tributyl-, bromide
CID 2724282
Benzyltributylammonium bromide
CID 124611

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-5-methoxy-N-(tributylstannylmethyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-benzyl-5-methoxy-N-(tributylstannylmethyl)pent-3-en-1-amine (CID 15305734) is (E)-N-benzyl-5-methoxy-N-(tributylstannylmethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-benzyl-5-methoxy-N-(tributylstannylmethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-benzyl-5-methoxy-N-(tributylstannylmethyl)pent-3-en-1-amine is CCCC[Sn](CCCC)(CCCC)CN(CC/C=C/COC)Cc1ccccc1.
What is the InChIKey of (E)-N-benzyl-5-methoxy-N-(tributylstannylmethyl)pent-3-en-1-amine?
The InChIKey is IOJCPJCVUYVSGN-IPAOSVGWSA-N. The full InChI is InChI=1S/C14H20NO.3C4H9.Sn/c1-15(11-7-4-8-12-16-2)13-14-9-5-3-6-10-14;3*1-3-4-2;/h3-6,8-10H,1,7,11-13H2,2H3;3*1,3-4H2,2H3;/b8-4+;;;;.
What are the key properties of (E)-N-benzyl-5-methoxy-N-(tributylstannylmethyl)pent-3-en-1-amine?
(E)-N-benzyl-5-methoxy-N-(tributylstannylmethyl)pent-3-en-1-amine has a molecular weight of 508.38 g/mol, XLogP of 7.47, 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-N-(tributylstannylmethyl)pent-3-en-1-amine is sourced from PubChem (CID 15305734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).