N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

C16H27N3O2 — CID 116762484

IUPACN-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccnc1OC)C1(OCC)CCCC1
InChIInChI=1S/C16H27N3O2/c1-4-10-18-14(13-15(20-3)19-12-11-17-13)16(21-5-2)8-6-7-9-16/h11-12,14,18H,4-10H2,1-3H3
InChIKeyIWOPZKCSKOZJPR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.88
Rot. Bonds8

About N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (PubChem CID 116762484) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
PubChem CID116762484
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccnc1OC)C1(OCC)CCCC1
InChIInChI=1S/C16H27N3O2/c1-4-10-18-14(13-15(20-3)19-12-11-17-13)16(21-5-2)8-6-7-9-16/h11-12,14,18H,4-10H2,1-3H3
InChIKeyIWOPZKCSKOZJPR-UHFFFAOYSA-N
XLogP2.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
N-[cyclohexyl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104515379
(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 116755475
N-[(1-ethoxycyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 116762353
(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine
CID 116768146
[(3-methoxypyrazin-2-yl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105332599
N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 106654605
N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine
CID 116764210
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178707

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (CID 116762484) is N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1nccnc1OC)C1(OCC)CCCC1.
What is the InChIKey of N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is IWOPZKCSKOZJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-10-18-14(13-15(20-3)19-12-11-17-13)16(21-5-2)8-6-7-9-16/h11-12,14,18H,4-10H2,1-3H3.
What are the key properties of N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 116762484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).