N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine

C16H29N3O — CID 116762281

IUPACN-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1cc(C(NCC)C2(OCC)CCCC2)cn1
InChIInChI=1S/C16H29N3O/c1-4-11-19-13-14(12-18-19)15(17-5-2)16(20-6-3)9-7-8-10-16/h12-13,15,17H,4-11H2,1-3H3
InChIKeyWVQLSUMZCBITMO-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.29
Rot. Bonds8

About N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine

N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine (PubChem CID 116762281) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
PubChem CID116762281
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1cc(C(NCC)C2(OCC)CCCC2)cn1
InChIInChI=1S/C16H29N3O/c1-4-11-19-13-14(12-18-19)15(17-5-2)16(20-6-3)9-7-8-10-16/h12-13,15,17H,4-11H2,1-3H3
InChIKeyWVQLSUMZCBITMO-UHFFFAOYSA-N
XLogP3.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethoxycyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 116762353
N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 116765796
[(1-ethoxycycloheptyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105278414
[(1-methoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105268662
[(1-methoxycyclohexyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105275993
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
(1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine
CID 116714074
N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116764137
N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 116764059
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine
CID 79064560

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine (CID 116762281) is N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine is CCCn1cc(C(NCC)C2(OCC)CCCC2)cn1.
What is the InChIKey of N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is WVQLSUMZCBITMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-11-19-13-14(12-18-19)15(17-5-2)16(20-6-3)9-7-8-10-16/h12-13,15,17H,4-11H2,1-3H3.
What are the key properties of N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 279.43 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 116762281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).