1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine

C13H28N2O — CID 81171241

IUPAC1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine
SMILESCCC(CC)N(CCOC)CC1(N)CCC1
InChIInChI=1S/C13H28N2O/c1-4-12(5-2)15(9-10-16-3)11-13(14)7-6-8-13/h12H,4-11,14H2,1-3H3
InChIKeyNMWIFZHRLFKGRD-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.00
Rot. Bonds8

About 1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine

1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine (PubChem CID 81171241) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine
PubChem CID81171241
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine
SMILESCCC(CC)N(CCOC)CC1(N)CCC1
InChIInChI=1S/C13H28N2O/c1-4-12(5-2)15(9-10-16-3)11-13(14)7-6-8-13/h12H,4-11,14H2,1-3H3
InChIKeyNMWIFZHRLFKGRD-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxan-4-amine
CID 115295435
1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-ol
CID 65212569
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2-methylcyclopentan-1-amine
CID 82767668
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 62390646
3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
CID 63741331
N-(2-methoxyethyl)-N-[(2-propylpyrrolidin-2-yl)methyl]pentan-3-amine
CID 106976339
1-[2-[bis(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine
CID 79843376
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 63739653
1-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79844292
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 62557564
1-[[2-methoxyethyl(prop-2-enyl)amino]methyl]cyclopentan-1-amine
CID 103339270
N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55087436

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine (CID 81171241) is 1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine is CCC(CC)N(CCOC)CC1(N)CCC1.
What is the InChIKey of 1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine?
The InChIKey is NMWIFZHRLFKGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-12(5-2)15(9-10-16-3)11-13(14)7-6-8-13/h12H,4-11,14H2,1-3H3.
What are the key properties of 1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine?
1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 81171241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).