4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide

C12H24N2O2 — CID 115709382

IUPAC4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide
SMILESCCC(CC)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-3-10(4-2)14-9-12(11(13)15)5-7-16-8-6-12/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyANUUBFDMHIURDB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds6

About 4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide

4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide (PubChem CID 115709382) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide
PubChem CID115709382
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide
SMILESCCC(CC)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-3-10(4-2)14-9-12(11(13)15)5-7-16-8-6-12/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyANUUBFDMHIURDB-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide
CID 115720546
4-[(butylsulfonylamino)methyl]oxane-4-carboxamide
CID 47372219
4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide
CID 62117621
4-[[[(2R,3R)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]oxane-4-carboxamide
CID 97230033
4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide
CID 56797554
4-[(propan-2-ylamino)methyl]oxane-4-carboxylic acid
CID 84670127
N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine
CID 115892015
4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide
CID 115438973
4-(fluoromethyl)oxane-4-carboxamide
CID 122714179
4-(3-oxobutyl)oxane-4-carboxamide
CID 143045397
4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430578
methyl 2-[(4-hydroxyoxan-4-yl)methylamino]butanoate
CID 115353524

Frequently Asked Questions

What is the IUPAC name of 4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide?
The IUPAC name of 4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide (CID 115709382) is 4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide is CCC(CC)NCC1(C(N)=O)CCOCC1.
What is the InChIKey of 4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide?
The InChIKey is ANUUBFDMHIURDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-10(4-2)14-9-12(11(13)15)5-7-16-8-6-12/h10,14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide?
4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide is sourced from PubChem (CID 115709382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).