N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine

C16H20N2 — CID 116983814

IUPACN-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine
SMILESCc1c(CNC2CC2)c2cccc3c2n1CCC3
InChIInChI=1S/C16H20N2/c1-11-15(10-17-13-7-8-13)14-6-2-4-12-5-3-9-18(11)16(12)14/h2,4,6,13,17H,3,5,7-10H2,1H3
InChIKeyDVKQAMMHGWDNJE-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.15
Rot. Bonds3

About N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine

N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine (PubChem CID 116983814) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine
PubChem CID116983814
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine
SMILESCc1c(CNC2CC2)c2cccc3c2n1CCC3
InChIInChI=1S/C16H20N2/c1-11-15(10-17-13-7-8-13)14-6-2-4-12-5-3-9-18(11)16(12)14/h2,4,6,13,17H,3,5,7-10H2,1H3
InChIKeyDVKQAMMHGWDNJE-UHFFFAOYSA-N
XLogP3.15
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromoethyl)-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10378814
2-methyl-3-(pyrrolidin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 84635427
2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetonitrile
CID 116983839
2-methyl-3-(piperidin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 84640982
N-cyclopropyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-12-amine
CID 84640227
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
1-ethyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72864341
2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propan-2-ol
CID 116983852
(1S,3S,4S)-3-amino-4-hydroxy-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 163333429
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
5-methyl-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 74249304
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine (CID 116983814) is N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine is Cc1c(CNC2CC2)c2cccc3c2n1CCC3.
What is the InChIKey of N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine?
The InChIKey is DVKQAMMHGWDNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-15(10-17-13-7-8-13)14-6-2-4-12-5-3-9-18(11)16(12)14/h2,4,6,13,17H,3,5,7-10H2,1H3.
What are the key properties of N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine?
N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine has a molecular weight of 240.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 116983814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).