dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane

C19H37Cl2MnN5O2 — CID 59891290

IUPACdichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane
SMILESC[C@@H]1CN[C@@H](COCc2ccoc2)CN[C@H](C)CN[C@@H](C)CNCCN1.Cl[Mn]Cl
InChIInChI=1S/C19H37N5O2.2ClH.Mn/c1-15-8-20-5-6-21-16(2)10-24-19(11-23-17(3)9-22-15)14-26-13-18-4-7-25-12-18;;;/h4,7,12,15-17,19-24H,5-6,8-11,13-14H2,1-3H3;2*1H;/q;;;+2/p-2/t15-,16+,17+,19+;;;/m0.../s1
InChIKeyIPUVGNJQXUCVJQ-USPCTBMRSA-L
MW493.38 g/mol
LogP1.67
Rot. Bonds4

About dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane

dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane (PubChem CID 59891290) has the molecular formula C19H37Cl2MnN5O2 and a molecular weight of 493.38 g/mol. Its IUPAC name is dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane.

Molecular Properties

Compound Namedichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane
PubChem CID59891290
Molecular FormulaC19H37Cl2MnN5O2
Molecular Weight493.38 g/mol
Exact Mass492.17
IUPAC Namedichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane
SMILESC[C@@H]1CN[C@@H](COCc2ccoc2)CN[C@H](C)CN[C@@H](C)CNCCN1.Cl[Mn]Cl
InChIInChI=1S/C19H37N5O2.2ClH.Mn/c1-15-8-20-5-6-21-16(2)10-24-19(11-23-17(3)9-22-15)14-26-13-18-4-7-25-12-18;;;/h4,7,12,15-17,19-24H,5-6,8-11,13-14H2,1-3H3;2*1H;/q;;;+2/p-2/t15-,16+,17+,19+;;;/m0.../s1
InChIKeyIPUVGNJQXUCVJQ-USPCTBMRSA-L
XLogP1.67
TPSA82.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.38
LogP ≤ 51.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 57696663
dichloromanganese;(2R,5S,11R,15S)-15-(furan-3-ylmethoxymethyl)-2,5,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 60123947
(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 57696664
(2R,5R,8S,15S)-2-(furan-2-yloxymethyl)-5,8,15-trimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 58595878
(2R,5S,11R,15S)-15-(furan-3-ylmethoxymethyl)-2,5,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 60123948
2-(furan-3-ylmethoxy)-N-methylethanamine
CID 83171444
2-(furan-3-ylmethoxy)-N-methylpropan-1-amine
CID 83171591
N-ethyl-2-(furan-3-ylmethoxy)ethanamine
CID 83171592
N-[2-(furan-3-ylmethoxy)ethyl]propan-1-amine
CID 83171730
N-[2-(furan-3-ylmethoxy)ethyl]propan-2-amine
CID 83171870
3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine
CID 83171871
2-(Furan-3-ylmethoxymethyl)-6-methylmorpholine
CID 102633759

Frequently Asked Questions

What is the IUPAC name of dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane?
The IUPAC name of dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane (CID 59891290) is dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane.
What is the SMILES notation for dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane?
The canonical SMILES for dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane is C[C@@H]1CN[C@@H](COCc2ccoc2)CN[C@H](C)CN[C@@H](C)CNCCN1.Cl[Mn]Cl.
What is the InChIKey of dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane?
The InChIKey is IPUVGNJQXUCVJQ-USPCTBMRSA-L. The full InChI is InChI=1S/C19H37N5O2.2ClH.Mn/c1-15-8-20-5-6-21-16(2)10-24-19(11-23-17(3)9-22-15)14-26-13-18-4-7-25-12-18;;;/h4,7,12,15-17,19-24H,5-6,8-11,13-14H2,1-3H3;2*1H;/q;;;+2/p-2/t15-,16+,17+,19+;;;/m0.../s1.
What are the key properties of dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane?
dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane has a molecular weight of 493.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane is sourced from PubChem (CID 59891290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).