1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine

C16H20N2 — CID 84629848

IUPAC1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine
SMILESNCC1CCCc2c1n1c3c(cccc23)CCC1
InChIInChI=1S/C16H20N2/c17-10-12-5-2-8-14-13-7-1-4-11-6-3-9-18(15(11)13)16(12)14/h1,4,7,12H,2-3,5-6,8-10,17H2
InChIKeyAFTKHHZMVFSWCD-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.97
Rot. Bonds1

About 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine

1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine (PubChem CID 84629848) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine.

Molecular Properties

Compound Name1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine
PubChem CID84629848
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine
SMILESNCC1CCCc2c1n1c3c(cccc23)CCC1
InChIInChI=1S/C16H20N2/c17-10-12-5-2-8-14-13-7-1-4-11-6-3-9-18(15(11)13)16(12)14/h1,4,7,12H,2-3,5-6,8-10,17H2
InChIKeyAFTKHHZMVFSWCD-UHFFFAOYSA-N
XLogP2.97
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine with MolForge

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Related Compounds

(8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 105422246
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine
CID 84640227
8-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 83827745
[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 26342575
N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine
CID 116983814
4-amino-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
CID 2786883
1,2,3,4-tetrahydrochrysen-4-ylmethanamine
CID 174766755
2-methyl-3-(pyrrolidin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 84635427
3-(2-bromoethyl)-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10378814
8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine
CID 84622862
2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetonitrile
CID 116983839

Frequently Asked Questions

What is the IUPAC name of 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine?
The IUPAC name of 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine (CID 84629848) is 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine.
What is the SMILES notation for 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine?
The canonical SMILES for 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine is NCC1CCCc2c1n1c3c(cccc23)CCC1.
What is the InChIKey of 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine?
The InChIKey is AFTKHHZMVFSWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c17-10-12-5-2-8-14-13-7-1-4-11-6-3-9-18(15(11)13)16(12)14/h1,4,7,12H,2-3,5-6,8-10,17H2.
What are the key properties of 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine?
1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine has a molecular weight of 240.35 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine is sourced from PubChem (CID 84629848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).