2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide

C12H22N2O2 — CID 62385012

IUPAC2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide
SMILESNCC(CC1CCOCC1)C(=O)NC1CC1
InChIInChI=1S/C12H22N2O2/c13-8-10(12(15)14-11-1-2-11)7-9-3-5-16-6-4-9/h9-11H,1-8,13H2,(H,14,15)
InChIKeyURVTXEPMDPEPEI-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.66
Rot. Bonds5

About 2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide

2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide (PubChem CID 62385012) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide
PubChem CID62385012
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide
SMILESNCC(CC1CCOCC1)C(=O)NC1CC1
InChIInChI=1S/C12H22N2O2/c13-8-10(12(15)14-11-1-2-11)7-9-3-5-16-6-4-9/h9-11H,1-8,13H2,(H,14,15)
InChIKeyURVTXEPMDPEPEI-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid
CID 62314712
2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide
CID 107472463
5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one
CID 103344069
2-amino-3-(oxan-4-yl)propanamide
CID 64990540
methyl 2-methyl-3-(oxan-4-yl)propanoate
CID 67765970
2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride
CID 120795689
3-amino-N-(oxan-4-yl)propanamide
CID 43610037
CID 88879043
CID 88879043
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
N-cyclopropyl-2-ethylbutanamide
CID 5151098
N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 119475517
2-amino-N-cyclooctyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783011

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide (CID 62385012) is 2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide is NCC(CC1CCOCC1)C(=O)NC1CC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide?
The InChIKey is URVTXEPMDPEPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-8-10(12(15)14-11-1-2-11)7-9-3-5-16-6-4-9/h9-11H,1-8,13H2,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide?
2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 62385012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).