N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine

C18H19N — CID 28425

IUPACN-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine
SMILESCNCC12CCC(c3ccccc31)c1ccccc12
InChIInChI=1S/C18H19N/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18/h2-9,13,19H,10-12H2,1H3
InChIKeyGNRXCIONJWKSEA-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.43
Rot. Bonds2

About N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine

N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine (PubChem CID 28425) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine
PubChem CID28425
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC NameN-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine
SMILESCNCC12CCC(c3ccccc31)c1ccccc12
InChIInChI=1S/C18H19N/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18/h2-9,13,19H,10-12H2,1H3
InChIKeyGNRXCIONJWKSEA-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 4011
Maprotiline Hydrochloride
CID 71478
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CID 25382
Dehydroabietylamine
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CID 106831
[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
CID 118215
Desmethylmaprotiline
CID 119409
9,10-dihydro-N,N-dimethyl-9-anthracenepropanamine
CID 10333104
Litracen
CID 82730
n-Methyl-1-(1-(naphthalen-2-yl)cyclohexyl)ethanamine
CID 53319832
n,n-Dimethyl-1-(1-(naphthalen-1-yl)cyclohexyl)methanamine
CID 53323771
(2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10060088

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine?
The IUPAC name of N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine (CID 28425) is N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine?
The canonical SMILES for N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine is CNCC12CCC(c3ccccc31)c1ccccc12.
What is the InChIKey of N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine?
The InChIKey is GNRXCIONJWKSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18/h2-9,13,19H,10-12H2,1H3.
What are the key properties of N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine?
N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine has a molecular weight of 249.36 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine is sourced from PubChem (CID 28425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).