N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine

C17H29N3 — CID 106657172

IUPACN-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)c1cc(CC)nn1C
InChIInChI=1S/C17H29N3/c1-4-12-18-17(14-10-8-6-7-9-11-14)16-13-15(5-2)19-20(16)3/h10,13,17-18H,4-9,11-12H2,1-3H3
InChIKeyIFCGLQFYBWDHKT-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.91
Rot. Bonds6

About N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine

N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine (PubChem CID 106657172) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
PubChem CID106657172
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)c1cc(CC)nn1C
InChIInChI=1S/C17H29N3/c1-4-12-18-17(14-10-8-6-7-9-11-14)16-13-15(5-2)19-20(16)3/h10,13,17-18H,4-9,11-12H2,1-3H3
InChIKeyIFCGLQFYBWDHKT-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[cyclohepten-1-yl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 106657100
N-[cyclohepten-1-yl-(1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 106657176
N-[[(1E)-cycloocten-1-yl]-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107977973
[(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol
CID 106657733
N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine
CID 62080388
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 105182286
N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine
CID 105150113
N-[(3-ethyl-1-methylpyrazol-5-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105104032
N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105142319
N-[[(1E)-cycloocten-1-yl]-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 106656613
N-[(4-chlorophenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106652441
[cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methyl]hydrazine
CID 106650657

Frequently Asked Questions

What is the IUPAC name of N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine (CID 106657172) is N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine is CCCNC(C1=CCCCCC1)c1cc(CC)nn1C.
What is the InChIKey of N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The InChIKey is IFCGLQFYBWDHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-12-18-17(14-10-8-6-7-9-11-14)16-13-15(5-2)19-20(16)3/h10,13,17-18H,4-9,11-12H2,1-3H3.
What are the key properties of N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine?
N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 106657172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).