1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine

C14H28N2O2 — CID 106821874

IUPAC1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(CN)(N(C)CC2CCCCO2)C1
InChIInChI=1S/C14H28N2O2/c1-3-17-13-8-14(9-13,11-15)16(2)10-12-6-4-5-7-18-12/h12-13H,3-11,15H2,1-2H3
InChIKeyPDKRXOPYBWBAGP-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.38
Rot. Bonds6

About 1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine

1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine (PubChem CID 106821874) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine
PubChem CID106821874
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(CN)(N(C)CC2CCCCO2)C1
InChIInChI=1S/C14H28N2O2/c1-3-17-13-8-14(9-13,11-15)16(2)10-12-6-4-5-7-18-12/h12-13H,3-11,15H2,1-2H3
InChIKeyPDKRXOPYBWBAGP-UHFFFAOYSA-N
XLogP1.38
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 61431336
1-(aminomethyl)-3-ethoxy-N-ethyl-N-methylcyclobutan-1-amine
CID 106821743
8-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)spiro[4.5]decan-8-amine
CID 114818074
4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine
CID 54983122
N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methyloxolan-3-amine
CID 106822250
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62257278
1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 103562711
1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 62007723
3-ethoxy-1-[3-(oxolan-2-yl)propyl]cyclobutan-1-ol
CID 106823544
1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine
CID 106821779
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433810
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine (CID 106821874) is 1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine is CCOC1CC(CN)(N(C)CC2CCCCO2)C1.
What is the InChIKey of 1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is PDKRXOPYBWBAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-17-13-8-14(9-13,11-15)16(2)10-12-6-4-5-7-18-12/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine?
1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 106821874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).