1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

C17H21N3 — CID 115860005

IUPAC1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1nccn1C)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H21N3/c1-18-16(17-19-9-10-20(17)2)15-13-8-7-11-5-3-4-6-12(11)14(13)15/h3-6,9-10,13-16,18H,7-8H2,1-2H3
InChIKeyHQYOXXNZKOERKD-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.66
Rot. Bonds3

About 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 115860005) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
PubChem CID115860005
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1nccn1C)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H21N3/c1-18-16(17-19-9-10-20(17)2)15-13-8-7-11-5-3-4-6-12(11)14(13)15/h3-6,9-10,13-16,18H,7-8H2,1-2H3
InChIKeyHQYOXXNZKOERKD-UHFFFAOYSA-N
XLogP2.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine
CID 115779942
N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135539
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 105149675
[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305505
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014958
[3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308335
N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
CID 63974331
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
CID 104986364
[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320552
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-ethyl-N-methylpentan-1-amine
CID 105028073
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylbut-3-en-1-amine
CID 115814134

Frequently Asked Questions

What is the IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (CID 115860005) is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is CNC(c1nccn1C)C1C2CCc3ccccc3C21.
What is the InChIKey of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is HQYOXXNZKOERKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-18-16(17-19-9-10-20(17)2)15-13-8-7-11-5-3-4-6-12(11)14(13)15/h3-6,9-10,13-16,18H,7-8H2,1-2H3.
What are the key properties of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 267.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 115860005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).