N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C15H27N3O — CID 116714664

IUPACN-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C(C)C)n1)C1(OC)CCC1
InChIInChI=1S/C15H27N3O/c1-5-16-14(15(19-4)8-6-9-15)11-13-7-10-18(17-13)12(2)3/h7,10,12,14,16H,5-6,8-9,11H2,1-4H3
InChIKeyFKDQQJNFBTTXGI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.55
Rot. Bonds7

About N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 116714664) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID116714664
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C(C)C)n1)C1(OC)CCC1
InChIInChI=1S/C15H27N3O/c1-5-16-14(15(19-4)8-6-9-15)11-13-7-10-18(17-13)12(2)3/h7,10,12,14,16H,5-6,8-9,11H2,1-4H3
InChIKeyFKDQQJNFBTTXGI-UHFFFAOYSA-N
XLogP2.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-methoxycyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116763128
1-(1-methoxycyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104610783
[1-(1-methoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105277428
2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710449
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764841
N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771858
N-ethyl-3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116758057
N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104611168
N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 80684207
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine
CID 104611319
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714555
4-[2-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]pyridin-2-amine
CID 116714708

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 116714664) is N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C(C)C)n1)C1(OC)CCC1.
What is the InChIKey of N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is FKDQQJNFBTTXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-16-14(15(19-4)8-6-9-15)11-13-7-10-18(17-13)12(2)3/h7,10,12,14,16H,5-6,8-9,11H2,1-4H3.
What are the key properties of N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 116714664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).