N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine

C13H19N — CID 123748338

IUPACN-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
SMILESCNC1CCCCCc2ccccc21
InChIInChI=1S/C13H19N/c1-14-13-10-4-2-3-7-11-8-5-6-9-12(11)13/h5-6,8-9,13-14H,2-4,7,10H2,1H3
InChIKeyDYBBFSBVRYZYJV-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.06
Rot. Bonds1

About N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine

N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine (PubChem CID 123748338) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine.

Molecular Properties

Compound NameN-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
PubChem CID123748338
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
SMILESCNC1CCCCCc2ccccc21
InChIInChI=1S/C13H19N/c1-14-13-10-4-2-3-7-11-8-5-6-9-12(11)13/h5-6,8-9,13-14H,2-4,7,10H2,1H3
InChIKeyDYBBFSBVRYZYJV-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43131355
N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 153395862
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166139472
N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115695313
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
CID 153344227

Frequently Asked Questions

What is the IUPAC name of N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine?
The IUPAC name of N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine (CID 123748338) is N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine.
What is the SMILES notation for N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine?
The canonical SMILES for N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine is CNC1CCCCCc2ccccc21.
What is the InChIKey of N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine?
The InChIKey is DYBBFSBVRYZYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-14-13-10-4-2-3-7-11-8-5-6-9-12(11)13/h5-6,8-9,13-14H,2-4,7,10H2,1H3.
What are the key properties of N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine?
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine has a molecular weight of 189.30 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine is sourced from PubChem (CID 123748338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).