ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+)

C23H37N4Rb — CID 143987289

IUPACethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+)
SMILESCC.CCC(CC[NH-])N1CCCN(C2=c3ncccc3=CC=C(C)C2)CC1.[Rb+]
InChIInChI=1S/C21H31N4.C2H6.Rb/c1-3-19(9-10-22)24-12-5-13-25(15-14-24)20-16-17(2)7-8-18-6-4-11-23-21(18)20;1-2;/h4,6-8,11,19,22H,3,5,9-10,12-16H2,1-2H3;1-2H3;/q-1;;+1
InChIKeyOQLQKERHSBWXMM-UHFFFAOYSA-N
MW455.05 g/mol
LogP0.58
Rot. Bonds5

About ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+)

ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+) (PubChem CID 143987289) has the molecular formula C23H37N4Rb and a molecular weight of 455.05 g/mol. Its IUPAC name is ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+).

Molecular Properties

Compound Nameethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+)
PubChem CID143987289
Molecular FormulaC23H37N4Rb
Molecular Weight455.05 g/mol
Exact Mass454.21
IUPAC Nameethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+)
SMILESCC.CCC(CC[NH-])N1CCCN(C2=c3ncccc3=CC=C(C)C2)CC1.[Rb+]
InChIInChI=1S/C21H31N4.C2H6.Rb/c1-3-19(9-10-22)24-12-5-13-25(15-14-24)20-16-17(2)7-8-18-6-4-11-23-21(18)20;1-2;/h4,6-8,11,19,22H,3,5,9-10,12-16H2,1-2H3;1-2H3;/q-1;;+1
InChIKeyOQLQKERHSBWXMM-UHFFFAOYSA-N
XLogP0.58
TPSA43.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.05
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+)
CID 143987259
ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane
CID 143987285
N'-[(2,5-dimethyl-2H-azepin-7-yl)methyl]-N'-[(E)-4-(ethylideneamino)-5-methyloct-4-en-3-yl]pentane-1,5-diamine
CID 156421106
(3E,5Z,7E)-9-[3-[2-(6-aminohexan-2-ylamino)ethyl-methylamino]butylimino]-5-ethylidene-3-methyl-2-N-propylnona-3,7-diene-2,6-diamine
CID 174108491
3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 143987290

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+)?
The IUPAC name of ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+) (CID 143987289) is ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+).
What is the SMILES notation for ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+)?
The canonical SMILES for ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+) is CC.CCC(CC[NH-])N1CCCN(C2=c3ncccc3=CC=C(C)C2)CC1.[Rb+].
What is the InChIKey of ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+)?
The InChIKey is OQLQKERHSBWXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N4.C2H6.Rb/c1-3-19(9-10-22)24-12-5-13-25(15-14-24)20-16-17(2)7-8-18-6-4-11-23-21(18)20;1-2;/h4,6-8,11,19,22H,3,5,9-10,12-16H2,1-2H3;1-2H3;/q-1;;+1.
What are the key properties of ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+)?
ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+) has a molecular weight of 455.05 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+) is sourced from PubChem (CID 143987289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).