dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine

C19H37Cl2MnN6-5 — CID 58595898

IUPACdichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine
SMILESC[C@@H]1C[N-][C@@H](CCCN)C[N-][C@@H]2CCCC[C@H]2[N-]CC[N-][C@@H](C)C[N-]1.Cl[Mn]Cl
InChIInChI=1S/C19H37N6.2ClH.Mn/c1-15-12-23-16(2)13-24-17(6-5-9-20)14-25-19-8-4-3-7-18(19)22-11-10-21-15;;;/h15-19H,3-14,20H2,1-2H3;2*1H;/q-5;;;+2/p-2/t15-,16+,17-,18+,19+;;;/m0.../s1
InChIKeyGAURNMFBSVIKFM-ZLQHFKLVSA-L
MW475.39 g/mol
LogP5.44
Rot. Bonds3

About dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine

dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine (PubChem CID 58595898) has the molecular formula C19H37Cl2MnN6-5 and a molecular weight of 475.39 g/mol. Its IUPAC name is dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine.

Molecular Properties

Compound Namedichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine
PubChem CID58595898
Molecular FormulaC19H37Cl2MnN6-5
Molecular Weight475.39 g/mol
Exact Mass474.19
IUPAC Namedichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine
SMILESC[C@@H]1C[N-][C@@H](CCCN)C[N-][C@@H]2CCCC[C@H]2[N-]CC[N-][C@@H](C)C[N-]1.Cl[Mn]Cl
InChIInChI=1S/C19H37N6.2ClH.Mn/c1-15-12-23-16(2)13-24-17(6-5-9-20)14-25-19-8-4-3-7-18(19)22-11-10-21-15;;;/h15-19H,3-14,20H2,1-2H3;2*1H;/q-5;;;+2/p-2/t15-,16+,17-,18+,19+;;;/m0.../s1
InChIKeyGAURNMFBSVIKFM-ZLQHFKLVSA-L
XLogP5.44
TPSA96.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.39
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine with MolForge

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Related Compounds

2-[(1R,4S,12R,15R)-12-(tert-butylsulfanylmethyl)-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]ethyl-trimethyl-λ4-sulfane;dichloromanganese
CID 58595851
2-[[(14R,19R)-26-aza-3,10,13,20-tetrazanidatetracyclo[20.3.1.04,9.014,19]hexacosa-1(25),22(26),23-trien-24-yl]sulfanyl]ethanamine;dichloromanganese;molecular hydrogen
CID 159570280
3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
CID 67095749
3-cyclohexylpropan-1-amine;ethane
CID 143945055
manganese;molecular hydrogen;(6R,11R)-2,5,12,15,18-pentazanidatricyclo[17.4.0.06,11]tricosane;diisothiocyanate
CID 158462328
magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)
CID 11033935
4-(3-aminopropyl)cyclohexan-1-amine
CID 22292235
3-(2-propan-2-ylcyclohexyl)propan-1-amine
CID 84732620
3-(3-methylcyclobutyl)propan-1-amine
CID 119055095
cyclohexane-1,2-diamine;propane-1,3-diamine
CID 162135343
3-(1-cyclopentylpyrrolidin-2-yl)propan-1-amine
CID 63764075
10-(2-cyclohexylcyclohexyl)decan-1-amine
CID 174822141

Frequently Asked Questions

What is the IUPAC name of dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine?
The IUPAC name of dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine (CID 58595898) is dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine.
What is the SMILES notation for dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine?
The canonical SMILES for dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine is C[C@@H]1C[N-][C@@H](CCCN)C[N-][C@@H]2CCCC[C@H]2[N-]CC[N-][C@@H](C)C[N-]1.Cl[Mn]Cl.
What is the InChIKey of dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine?
The InChIKey is GAURNMFBSVIKFM-ZLQHFKLVSA-L. The full InChI is InChI=1S/C19H37N6.2ClH.Mn/c1-15-12-23-16(2)13-24-17(6-5-9-20)14-25-19-8-4-3-7-18(19)22-11-10-21-15;;;/h15-19H,3-14,20H2,1-2H3;2*1H;/q-5;;;+2/p-2/t15-,16+,17-,18+,19+;;;/m0.../s1.
What are the key properties of dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine?
dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine has a molecular weight of 475.39 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromanganese;3-[(1R,4S,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazanidabicyclo[13.4.0]nonadecan-4-yl]propan-1-amine is sourced from PubChem (CID 58595898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).