N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide

C13H24N2O3 — CID 106297142

IUPACN-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide
SMILESNCC1(NC(=O)CCC2CCCO2)CCOCC1
InChIInChI=1S/C13H24N2O3/c14-10-13(5-8-17-9-6-13)15-12(16)4-3-11-2-1-7-18-11/h11H,1-10,14H2,(H,15,16)
InChIKeyKJKINOZUMVMWIO-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.57
Rot. Bonds5

About N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide

N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide (PubChem CID 106297142) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide
PubChem CID106297142
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide
SMILESNCC1(NC(=O)CCC2CCCO2)CCOCC1
InChIInChI=1S/C13H24N2O3/c14-10-13(5-8-17-9-6-13)15-12(16)4-3-11-2-1-7-18-11/h11H,1-10,14H2,(H,15,16)
InChIKeyKJKINOZUMVMWIO-UHFFFAOYSA-N
XLogP0.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
CID 113275527
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide
CID 103970098
1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one
CID 58143477
N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 95286395
N-[1-(aminomethyl)cyclopentyl]-3-(oxolan-3-yl)propanamide
CID 119567070
N-[1-(aminomethyl)cyclopentyl]-3-cyclopropylpropanamide
CID 119565149
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide
CID 115365479
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-(oxan-2-yl)propanamide
CID 114304322
N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 114170083
N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 97083131
3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 95619752
1-(aminomethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 80588355

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide (CID 106297142) is N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide is NCC1(NC(=O)CCC2CCCO2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide?
The InChIKey is KJKINOZUMVMWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c14-10-13(5-8-17-9-6-13)15-12(16)4-3-11-2-1-7-18-11/h11H,1-10,14H2,(H,15,16).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide?
N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide has a molecular weight of 256.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 106297142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).