N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene

C18H31N — CID 177367040

IUPACN-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene
SMILESCC1CCCCCc2ccccc2CC1.CCNC
InChIInChI=1S/C15H22.C3H9N/c1-13-7-3-2-4-8-14-9-5-6-10-15(14)12-11-13;1-3-4-2/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3;4H,3H2,1-2H3
InChIKeyFWHUCARBRRIXRJ-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.60
Rot. Bonds1

About N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene

N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene (PubChem CID 177367040) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene.

Molecular Properties

Compound NameN-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene
PubChem CID177367040
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene
SMILESCC1CCCCCc2ccccc2CC1.CCNC
InChIInChI=1S/C15H22.C3H9N/c1-13-7-3-2-4-8-14-9-5-6-10-15(14)12-11-13;1-3-4-2/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3;4H,3H2,1-2H3
InChIKeyFWHUCARBRRIXRJ-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
CID 123348757
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 91190032
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-7-ol
CID 135280990
1,2,3,4-tetrahydronaphthalene
CID 174531863
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
2,3-dihydro-1H-indene;2-methyl-2,3-dihydro-1H-indene
CID 159163740
azane;1,2,3,4-tetrahydronaphthalene
CID 22598116
1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,4-tetrahydronaphthalene
CID 166550494
(2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen
CID 143761539
N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 64774222
N-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63455441

Frequently Asked Questions

What is the IUPAC name of N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene?
The IUPAC name of N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene (CID 177367040) is N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene.
What is the SMILES notation for N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene?
The canonical SMILES for N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene is CC1CCCCCc2ccccc2CC1.CCNC.
What is the InChIKey of N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene?
The InChIKey is FWHUCARBRRIXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.C3H9N/c1-13-7-3-2-4-8-14-9-5-6-10-15(14)12-11-13;1-3-4-2/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3;4H,3H2,1-2H3.
What are the key properties of N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene?
N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene has a molecular weight of 261.45 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene is sourced from PubChem (CID 177367040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).