1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

C15H27N3O — CID 103131455

IUPAC1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCCOC1(C(NC)c2ccn(C)n2)CCCCCC1
InChIInChI=1S/C15H27N3O/c1-4-19-15(10-7-5-6-8-11-15)14(16-2)13-9-12-18(3)17-13/h9,12,14,16H,4-8,10-11H2,1-3H3
InChIKeyHHBDXJILNLJFPN-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.81
Rot. Bonds5

About 1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 103131455) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID103131455
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCCOC1(C(NC)c2ccn(C)n2)CCCCCC1
InChIInChI=1S/C15H27N3O/c1-4-19-15(10-7-5-6-8-11-15)14(16-2)13-9-12-18(3)17-13/h9,12,14,16H,4-8,10-11H2,1-3H3
InChIKeyHHBDXJILNLJFPN-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103131417
[(1-ethoxycyclopentyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140671
N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131457
N-methyl-1-(1-methylpyrazol-3-yl)-1-(1-piperidin-1-ylcyclopentyl)methanamine
CID 103131090
1-[ethylamino-(1-methylpyrazol-3-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 103131095
1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116770578
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
[(1-ethylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103141044
1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 116770913
N-[(1-methylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134493
1-(3,5-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761840
1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770817

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (CID 103131455) is 1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is CCOC1(C(NC)c2ccn(C)n2)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is HHBDXJILNLJFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-19-15(10-7-5-6-8-11-15)14(16-2)13-9-12-18(3)17-13/h9,12,14,16H,4-8,10-11H2,1-3H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 265.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 103131455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).