N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide

C15H28N2O3 — CID 119609391

IUPACN-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESNCC1CCCCC1NC(=O)CCOCC1CCCO1
InChIInChI=1S/C15H28N2O3/c16-10-12-4-1-2-6-14(12)17-15(18)7-9-19-11-13-5-3-8-20-13/h12-14H,1-11,16H2,(H,17,18)
InChIKeyCTCFLRYEOYGPLG-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.21
Rot. Bonds7

About N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide

N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 119609391) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID119609391
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESNCC1CCCCC1NC(=O)CCOCC1CCCO1
InChIInChI=1S/C15H28N2O3/c16-10-12-4-1-2-6-14(12)17-15(18)7-9-19-11-13-5-3-8-20-13/h12-14H,1-11,16H2,(H,17,18)
InChIKeyCTCFLRYEOYGPLG-UHFFFAOYSA-N
XLogP1.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(oxolan-2-yl)acetamide;hydrochloride
CID 119260999
3-(oxan-2-ylmethoxy)propanamide
CID 22444989
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
CID 119605686
N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119611650
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide
CID 119605197
3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide
CID 103798579
N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide
CID 119610062
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
2,2-dimethyl-3-[3-(oxolan-2-ylmethoxy)propanoylamino]propanoic acid
CID 119249846
N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
CID 106367229
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one
CID 119631117

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide (CID 119609391) is N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide is NCC1CCCCC1NC(=O)CCOCC1CCCO1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is CTCFLRYEOYGPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c16-10-12-4-1-2-6-14(12)17-15(18)7-9-19-11-13-5-3-8-20-13/h12-14H,1-11,16H2,(H,17,18).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide?
N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 284.40 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 119609391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).