[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine

C16H20N2 — CID 116983772

IUPAC[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine
SMILESNCC1(c2cn3c4c(cccc24)CCC3)CCC1
InChIInChI=1S/C16H20N2/c17-11-16(7-3-8-16)14-10-18-9-2-5-12-4-1-6-13(14)15(12)18/h1,4,6,10H,2-3,5,7-9,11,17H2
InChIKeyIYOMJBZUAINOKD-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.97
Rot. Bonds2

About [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine

[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine (PubChem CID 116983772) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine
PubChem CID116983772
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine
SMILESNCC1(c2cn3c4c(cccc24)CCC3)CCC1
InChIInChI=1S/C16H20N2/c17-11-16(7-3-8-16)14-10-18-9-2-5-12-4-1-6-13(14)15(12)18/h1,4,6,10H,2-3,5,7-9,11,17H2
InChIKeyIYOMJBZUAINOKD-UHFFFAOYSA-N
XLogP2.97
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol
CID 116983775
1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine
CID 84625165
3-amino-1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propan-1-one
CID 96801563
[1-(7-chloro-1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278339
[1-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanol
CID 116983982
1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propan-2-amine
CID 116983721
[1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine
CID 95432617
1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-hydroxypropan-2-one
CID 58329544
2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine
CID 84630620
[1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine
CID 82278337
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)pyrrole-2,5-dione
CID 89497240
N-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine
CID 116983863

Frequently Asked Questions

What is the IUPAC name of [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine (CID 116983772) is [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine is NCC1(c2cn3c4c(cccc24)CCC3)CCC1.
What is the InChIKey of [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine?
The InChIKey is IYOMJBZUAINOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c17-11-16(7-3-8-16)14-10-18-9-2-5-12-4-1-6-13(14)15(12)18/h1,4,6,10H,2-3,5,7-9,11,17H2.
What are the key properties of [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine?
[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine has a molecular weight of 240.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine is sourced from PubChem (CID 116983772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).