N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine

C15H20N2 — CID 84625700

IUPACN-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine
SMILESCc1c(CNC(C)C)n2c3c(cccc13)CC2
InChIInChI=1S/C15H20N2/c1-10(2)16-9-14-11(3)13-6-4-5-12-7-8-17(14)15(12)13/h4-6,10,16H,7-9H2,1-3H3
InChIKeySDCHKSUAGOWGDG-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.00
Rot. Bonds3

About N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine

N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine (PubChem CID 84625700) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine
PubChem CID84625700
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine
SMILESCc1c(CNC(C)C)n2c3c(cccc13)CC2
InChIInChI=1S/C15H20N2/c1-10(2)16-9-14-11(3)13-6-4-5-12-7-8-17(14)15(12)13/h4-6,10,16H,7-9H2,1-3H3
InChIKeySDCHKSUAGOWGDG-UHFFFAOYSA-N
XLogP3.00
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
CID 598481
3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene-2-carboxylic acid
CID 117275526
3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine
CID 3737960
N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine
CID 84635166
3-methyl-2-(piperazin-1-ylmethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
CID 84635796
2-propan-2-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene-3-carboxylic acid
CID 84625862
3-bromo-4-methyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
CID 154882482
3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)oxetane-3-carbonitrile
CID 116983867
N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine
CID 116983814
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-[[4-(2,3-dihydroindol-1-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62135686
3-(2-bromoethyl)-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10378814

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine (CID 84625700) is N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine is Cc1c(CNC(C)C)n2c3c(cccc13)CC2.
What is the InChIKey of N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine?
The InChIKey is SDCHKSUAGOWGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10(2)16-9-14-11(3)13-6-4-5-12-7-8-17(14)15(12)13/h4-6,10,16H,7-9H2,1-3H3.
What are the key properties of N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine?
N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine has a molecular weight of 228.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 84625700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).