CID 154676694

C11H20NOSn — CID 154676694

IUPAC—
SMILESC=C([Sn])CCNC(=C)CCOCCC
InChIInChI=1S/C11H20NO.Sn/c1-4-6-8-12-11(3)7-10-13-9-5-2;/h12H,1,3,5-10H2,2H3;
InChIKeyZDEJRPIYPOIWOS-UHFFFAOYSA-N
MW301.00 g/mol
LogP1.98
Rot. Bonds9

About CID 154676694

CID 154676694 (PubChem CID 154676694) has the molecular formula C11H20NOSn and a molecular weight of 301.00 g/mol.

Molecular Properties

Compound NameCID 154676694
PubChem CID154676694
Molecular FormulaC11H20NOSn
Molecular Weight301.00 g/mol
Exact Mass302.06
IUPAC Name—
SMILESC=C([Sn])CCNC(=C)CCOCCC
InChIInChI=1S/C11H20NO.Sn/c1-4-6-8-12-11(3)7-10-13-9-5-2;/h12H,1,3,5-10H2,2H3;
InChIKeyZDEJRPIYPOIWOS-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.00
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine
CID 154676682
4-methoxy-N-prop-1-en-2-ylbutan-2-amine
CID 90245658
N-(3-methoxypropyl)but-1-en-2-amine
CID 90245952
3-methyl-N-(3-pentoxypropyl)but-1-en-2-amine
CID 142616431
4-methoxy-N-methylbut-1-en-2-amine
CID 145463634
N-(2-propoxyethyl)but-1-en-2-amine
CID 149018825
CID 153330082
CID 153330082
ethane;molecular hydrogen;4-pentoxy-N-propylbut-1-en-2-amine
CID 153330353
ethane;1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten
CID 154676670
ethane;1-N-(4-ethoxybut-1-en-2-yl)but-3-ene-1,3-diamine;tungsten
CID 154676679
4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine;tungsten
CID 154676681
1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine
CID 154676710

Frequently Asked Questions

What is the IUPAC name of CID 154676694?
The IUPAC name of CID 154676694 (CID 154676694) is not available.
What is the SMILES notation for CID 154676694?
The canonical SMILES for CID 154676694 is C=C([Sn])CCNC(=C)CCOCCC.
What is the InChIKey of CID 154676694?
The InChIKey is ZDEJRPIYPOIWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO.Sn/c1-4-6-8-12-11(3)7-10-13-9-5-2;/h12H,1,3,5-10H2,2H3;.
What are the key properties of CID 154676694?
CID 154676694 has a molecular weight of 301.00 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154676694 is sourced from PubChem (CID 154676694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).