[1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine

C15H29N3O — CID 106821889

IUPAC[1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine
SMILESCCOC1CC(CN)(N2CCN(CC3CC3)CC2)C1
InChIInChI=1S/C15H29N3O/c1-2-19-14-9-15(10-14,12-16)18-7-5-17(6-8-18)11-13-3-4-13/h13-14H,2-12,16H2,1H3
InChIKeyMRKWCQNWJLCQTH-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.91
Rot. Bonds6

About [1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine

[1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine (PubChem CID 106821889) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine
PubChem CID106821889
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine
SMILESCCOC1CC(CN)(N2CCN(CC3CC3)CC2)C1
InChIInChI=1S/C15H29N3O/c1-2-19-14-9-15(10-14,12-16)18-7-5-17(6-8-18)11-13-3-4-13/h13-14H,2-12,16H2,1H3
InChIKeyMRKWCQNWJLCQTH-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine
CID 106821998
[1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine
CID 64751461
[3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine
CID 106822190
[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79527221
[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562756
[3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine
CID 106822187
[1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872129
[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 106822368
[1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine
CID 112742858
[3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine
CID 107428904
2-[3-ethoxy-1-(4-methylpiperazin-1-yl)cyclobutyl]acetic acid
CID 106824241
[1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine
CID 64745247

Frequently Asked Questions

What is the IUPAC name of [1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine?
The IUPAC name of [1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine (CID 106821889) is [1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine.
What is the SMILES notation for [1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine?
The canonical SMILES for [1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine is CCOC1CC(CN)(N2CCN(CC3CC3)CC2)C1.
What is the InChIKey of [1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine?
The InChIKey is MRKWCQNWJLCQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-19-14-9-15(10-14,12-16)18-7-5-17(6-8-18)11-13-3-4-13/h13-14H,2-12,16H2,1H3.
What are the key properties of [1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine?
[1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine has a molecular weight of 267.42 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine is sourced from PubChem (CID 106821889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).