1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine

C15H18N2 — CID 84625165

IUPAC1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2cn3c4c(cccc24)CC3)CC1
InChIInChI=1S/C15H18N2/c1-16-10-15(6-7-15)13-9-17-8-5-11-3-2-4-12(13)14(11)17/h2-4,9,16H,5-8,10H2,1H3
InChIKeyXBAWILNLPRNHNE-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.45
Rot. Bonds3

About 1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine

1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine (PubChem CID 84625165) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine
PubChem CID84625165
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2cn3c4c(cccc24)CC3)CC1
InChIInChI=1S/C15H18N2/c1-16-10-15(6-7-15)13-9-17-8-5-11-3-2-4-12(13)14(11)17/h2-4,9,16H,5-8,10H2,1H3
InChIKeyXBAWILNLPRNHNE-UHFFFAOYSA-N
XLogP2.45
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.45
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-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine
CID 116983772
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
N-methyl-1-[1-(1,6,7-trimethylindol-3-yl)cyclopropyl]methanamine
CID 84630495
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-(7-ethyl-1,2-dimethylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84636329
2-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)-2-oxoacetic acid
CID 22556838
1-[1-(2-ethylphenyl)cyclopropyl]-N-methylmethanamine
CID 105425246
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N-methylaniline
CID 116983734
2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
CID 84621734
1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84633362
1-[1-(6-fluoro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84627003

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine (CID 84625165) is 1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine is CNCC1(c2cn3c4c(cccc24)CC3)CC1.
What is the InChIKey of 1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine?
The InChIKey is XBAWILNLPRNHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-16-10-15(6-7-15)13-9-17-8-5-11-3-2-4-12(13)14(11)17/h2-4,9,16H,5-8,10H2,1H3.
What are the key properties of 1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine?
1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine has a molecular weight of 226.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 84625165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).