ethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine

C15H27N — CID 145369382

IUPACethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine
SMILESCC.CC.CN1CCC2=C(C=CCC=C2)C1
InChIInChI=1S/C11H15N.2C2H6/c1-12-8-7-10-5-3-2-4-6-11(10)9-12;2*1-2/h3-6H,2,7-9H2,1H3;2*1-2H3
InChIKeyUFBQVBVRCQAWHK-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.19
Rot. Bonds

About ethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine

ethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine (PubChem CID 145369382) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine.

Molecular Properties

Compound Nameethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine
PubChem CID145369382
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine
SMILESCC.CC.CN1CCC2=C(C=CCC=C2)C1
InChIInChI=1S/C11H15N.2C2H6/c1-12-8-7-10-5-3-2-4-6-11(10)9-12;2*1-2/h3-6H,2,7-9H2,1H3;2*1-2H3
InChIKeyUFBQVBVRCQAWHK-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-3,6-dihydro-2H-cyclohepta[b]pyrrole
CID 143479526
ethane;1,2,3,4,5,8-hexahydroheptalene
CID 143157913
2,5-dimethyl-2-azabicyclo[6.5.0]trideca-1(8),9,12-triene;ethane
CID 142581446
1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine;ethane
CID 170725640
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine
CID 145121568
4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine
CID 130737113
ethane;1,4,5-trimethyl-2,3,6,7-tetrahydroazepine
CID 170729600
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridine;ethane
CID 145316380
1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 23323988
2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one
CID 15324712

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine?
The IUPAC name of ethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine (CID 145369382) is ethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine.
What is the SMILES notation for ethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine?
The canonical SMILES for ethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine is CC.CC.CN1CCC2=C(C=CCC=C2)C1.
What is the InChIKey of ethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine?
The InChIKey is UFBQVBVRCQAWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.2C2H6/c1-12-8-7-10-5-3-2-4-6-11(10)9-12;2*1-2/h3-6H,2,7-9H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine?
ethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine has a molecular weight of 221.39 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3,4,7-tetrahydrocyclohepta[c]pyridine is sourced from PubChem (CID 145369382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).