carbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese

C18H38MnN4-6 — CID 58836449

IUPACcarbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese
SMILESC[C@@H]1CC(C)(C)[N-]CC[N-][C@@H](C)CC(C)(C)[N-]CC[N-]1.[CH3-].[CH3-].[Mn]
InChIInChI=1S/C16H32N4.2CH3.Mn/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13;;;/h13-14H,7-12H2,1-6H3;2*1H3;/q-4;2*-1;/t13-,14+;;;
InChIKeyQQYCYDFNHQQRAX-OBJIRFSESA-N
MW365.47 g/mol
LogP5.51
Rot. Bonds

About carbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese

carbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese (PubChem CID 58836449) has the molecular formula C18H38MnN4-6 and a molecular weight of 365.47 g/mol. Its IUPAC name is carbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese.

Molecular Properties

Compound Namecarbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese
PubChem CID58836449
Molecular FormulaC18H38MnN4-6
Molecular Weight365.47 g/mol
Exact Mass365.25
IUPAC Namecarbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese
SMILESC[C@@H]1CC(C)(C)[N-]CC[N-][C@@H](C)CC(C)(C)[N-]CC[N-]1.[CH3-].[CH3-].[Mn]
InChIInChI=1S/C16H32N4.2CH3.Mn/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13;;;/h13-14H,7-12H2,1-6H3;2*1H3;/q-4;2*-1;/t13-,14+;;;
InChIKeyQQYCYDFNHQQRAX-OBJIRFSESA-N
XLogP5.51
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 54264007
(2R)-1-fluoro-1,2-dimethylcyclopropane
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CID 162401464
CID 162401464
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CID 174915163
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CID 12656861

Frequently Asked Questions

What is the IUPAC name of carbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese?
The IUPAC name of carbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese (CID 58836449) is carbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese.
What is the SMILES notation for carbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese?
The canonical SMILES for carbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese is C[C@@H]1CC(C)(C)[N-]CC[N-][C@@H](C)CC(C)(C)[N-]CC[N-]1.[CH3-].[CH3-].[Mn].
What is the InChIKey of carbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese?
The InChIKey is QQYCYDFNHQQRAX-OBJIRFSESA-N. The full InChI is InChI=1S/C16H32N4.2CH3.Mn/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13;;;/h13-14H,7-12H2,1-6H3;2*1H3;/q-4;2*-1;/t13-,14+;;;.
What are the key properties of carbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese?
carbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese has a molecular weight of 365.47 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazanidacyclotetradecane;manganese is sourced from PubChem (CID 58836449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).