N,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine

C12H15N3 — CID 162388539

IUPACN,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine
SMILESCN(C)C1Cc2[nH]c3ccncc3c2C1
InChIInChI=1S/C12H15N3/c1-15(2)8-5-9-10-7-13-4-3-11(10)14-12(9)6-8/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyJIVRXRHRKRNFES-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.59
Rot. Bonds1

About N,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine

N,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine (PubChem CID 162388539) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine
PubChem CID162388539
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine
SMILESCN(C)C1Cc2[nH]c3ccncc3c2C1
InChIInChI=1S/C12H15N3/c1-15(2)8-5-9-10-7-13-4-3-11(10)14-12(9)6-8/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyJIVRXRHRKRNFES-UHFFFAOYSA-N
XLogP1.59
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine
CID 162388544
12-propan-2-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
CID 23008413
(2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride
CID 140998240
N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine
CID 91536918
(8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine
CID 162388641
ethane;5H-pyrido[4,3-b]indole
CID 176987523
(3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 129396498
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-3-yl)-1H-pyrazolo[5,4-c]pyridin-3-amine
CID 144655795
3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 159829847
2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid
CID 69473778
11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen
CID 155583870

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine?
The IUPAC name of N,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine (CID 162388539) is N,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine.
What is the SMILES notation for N,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine?
The canonical SMILES for N,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine is CN(C)C1Cc2[nH]c3ccncc3c2C1.
What is the InChIKey of N,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine?
The InChIKey is JIVRXRHRKRNFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-15(2)8-5-9-10-7-13-4-3-11(10)14-12(9)6-8/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of N,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine?
N,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine has a molecular weight of 201.27 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine is sourced from PubChem (CID 162388539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).