1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine

C18H27N3 — CID 103127257

IUPAC1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
SMILESCCC1CCCCC1C(NC)c1nn(C)c2ccccc12
InChIInChI=1S/C18H27N3/c1-4-13-9-5-6-10-14(13)17(19-2)18-15-11-7-8-12-16(15)21(3)20-18/h7-8,11-14,17,19H,4-6,9-10H2,1-3H3
InChIKeyVWQUIIGBWCVUIW-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.05
Rot. Bonds4

About 1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine

1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine (PubChem CID 103127257) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
PubChem CID103127257
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
SMILESCCC1CCCCC1C(NC)c1nn(C)c2ccccc12
InChIInChI=1S/C18H27N3/c1-4-13-9-5-6-10-14(13)17(19-2)18-15-11-7-8-12-16(15)21(3)20-18/h7-8,11-14,17,19H,4-6,9-10H2,1-3H3
InChIKeyVWQUIIGBWCVUIW-UHFFFAOYSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 63862559
N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 103127434
1-(2-ethoxyphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115533850
N-methyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126552
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103128186
[(1-methylindazol-3-yl)-(oxan-4-yl)methyl]hydrazine
CID 103129649
1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103126508
[(2-ethylcyclohexyl)-isoquinolin-1-ylmethyl]hydrazine
CID 105220614
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
1-(3,4-dichlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 81492344
3-(difluoromethyl)-1-methylindazole
CID 153487584
1-(2,6-dimethyl-4-pyridinyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 107503579

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The IUPAC name of 1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine (CID 103127257) is 1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine is CCC1CCCCC1C(NC)c1nn(C)c2ccccc12.
What is the InChIKey of 1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The InChIKey is VWQUIIGBWCVUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-13-9-5-6-10-14(13)17(19-2)18-15-11-7-8-12-16(15)21(3)20-18/h7-8,11-14,17,19H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine has a molecular weight of 285.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine is sourced from PubChem (CID 103127257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).