1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine

C18H27N — CID 91269631

IUPAC1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine
SMILESCCC(C)CCC1=C2C(=CC=CCC1)CCN=C2C
InChIInChI=1S/C18H27N/c1-4-14(2)10-11-16-8-6-5-7-9-17-12-13-19-15(3)18(16)17/h5,7,9,14H,4,6,8,10-13H2,1-3H3
InChIKeyPLVJCUKZTNVJAF-UHFFFAOYSA-N
MW257.42 g/mol
LogP5.25
Rot. Bonds4

About 1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine

1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine (PubChem CID 91269631) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine.

Molecular Properties

Compound Name1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine
PubChem CID91269631
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine
SMILESCCC(C)CCC1=C2C(=CC=CCC1)CCN=C2C
InChIInChI=1S/C18H27N/c1-4-14(2)10-11-16-8-6-5-7-9-17-12-13-19-15(3)18(16)17/h5,7,9,14H,4,6,8,10-13H2,1-3H3
InChIKeyPLVJCUKZTNVJAF-UHFFFAOYSA-N
XLogP5.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
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Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
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5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
9-Fluoro-2,7-dimethyl-3,4,4a,5,6,10a-hexahydrocycloocta[b]pyridine
CID 123688718
3-methyl-6-[(3E,5E)-2,6,7-trifluorohepta-1,3,5-trien-4-yl]-2,3,4,5-tetrahydropyridine
CID 166963371
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
CID 143491216
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188

Frequently Asked Questions

What is the IUPAC name of 1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine?
The IUPAC name of 1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine (CID 91269631) is 1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine.
What is the SMILES notation for 1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine?
The canonical SMILES for 1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine is CCC(C)CCC1=C2C(=CC=CCC1)CCN=C2C.
What is the InChIKey of 1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine?
The InChIKey is PLVJCUKZTNVJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-4-14(2)10-11-16-8-6-5-7-9-17-12-13-19-15(3)18(16)17/h5,7,9,14H,4,6,8,10-13H2,1-3H3.
What are the key properties of 1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine?
1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine has a molecular weight of 257.42 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine is sourced from PubChem (CID 91269631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).