ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane)

C30H56N4 — CID 159492858

IUPACethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane)
SMILESCC.CC.CC(C)C.CC(C)C.CN1CCCc2cccnc21.CN1CCCc2cccnc21
InChIInChI=1S/2C9H12N2.2C4H10.2C2H6/c2*1-11-7-3-5-8-4-2-6-10-9(8)11;2*1-4(2)3;2*1-2/h2*2,4,6H,3,5,7H2,1H3;2*4H,1-3H3;2*1-2H3
InChIKeyLYKJUUOAOPFLJT-UHFFFAOYSA-N
MW472.81 g/mol
LogP8.31
Rot. Bonds

About ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane)

ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane) (PubChem CID 159492858) has the molecular formula C30H56N4 and a molecular weight of 472.81 g/mol. Its IUPAC name is ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane).

Molecular Properties

Compound Nameethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane)
PubChem CID159492858
Molecular FormulaC30H56N4
Molecular Weight472.81 g/mol
Exact Mass472.45
IUPAC Nameethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane)
SMILESCC.CC.CC(C)C.CC(C)C.CN1CCCc2cccnc21.CN1CCCc2cccnc21
InChIInChI=1S/2C9H12N2.2C4H10.2C2H6/c2*1-11-7-3-5-8-4-2-6-10-9(8)11;2*1-4(2)3;2*1-2/h2*2,4,6H,3,5,7H2,1H3;2*4H,1-3H3;2*1-2H3
InChIKeyLYKJUUOAOPFLJT-UHFFFAOYSA-N
XLogP8.31
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.81
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 91237685
ethane;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 143469071
tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 11831362
1,6-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;ethane
CID 172631854
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97411735
1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
CID 130211179
5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid
CID 154512709
7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 20655702
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
4-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 50742427

Frequently Asked Questions

What is the IUPAC name of ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane)?
The IUPAC name of ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane) (CID 159492858) is ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane).
What is the SMILES notation for ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane)?
The canonical SMILES for ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane) is CC.CC.CC(C)C.CC(C)C.CN1CCCc2cccnc21.CN1CCCc2cccnc21.
What is the InChIKey of ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane)?
The InChIKey is LYKJUUOAOPFLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12N2.2C4H10.2C2H6/c2*1-11-7-3-5-8-4-2-6-10-9(8)11;2*1-4(2)3;2*1-2/h2*2,4,6H,3,5,7H2,1H3;2*4H,1-3H3;2*1-2H3.
What are the key properties of ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane)?
ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane) has a molecular weight of 472.81 g/mol, XLogP of 8.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane) is sourced from PubChem (CID 159492858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).