N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

C17H31N3O — CID 103131457

IUPACN-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccn(C)n1)C1(OCC)CCCCCC1
InChIInChI=1S/C17H31N3O/c1-4-13-18-16(15-10-14-20(3)19-15)17(21-5-2)11-8-6-7-9-12-17/h10,14,16,18H,4-9,11-13H2,1-3H3
InChIKeyUXZKTUYSYFGCSA-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.59
Rot. Bonds7

About N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 103131457) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID103131457
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccn(C)n1)C1(OCC)CCCCCC1
InChIInChI=1S/C17H31N3O/c1-4-13-18-16(15-10-14-20(3)19-15)17(21-5-2)11-8-6-7-9-12-17/h10,14,16,18H,4-9,11-13H2,1-3H3
InChIKeyUXZKTUYSYFGCSA-UHFFFAOYSA-N
XLogP3.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103131455
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-methylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134493
N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131211
N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 103130823
N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine
CID 116764210
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
1-[ethylamino-(1-methylpyrazol-3-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 103131095
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine (CID 103131457) is N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccn(C)n1)C1(OCC)CCCCCC1.
What is the InChIKey of N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is UXZKTUYSYFGCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-13-18-16(15-10-14-20(3)19-15)17(21-5-2)11-8-6-7-9-12-17/h10,14,16,18H,4-9,11-13H2,1-3H3.
What are the key properties of N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 103131457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).