3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide

C12H24N2O3 — CID 106101613

IUPAC3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCC1(O)CCOC1C
InChIInChI=1S/C12H24N2O3/c1-3-10(7-13)6-11(15)14-8-12(16)4-5-17-9(12)2/h9-10,16H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyQNLUJLLBFUGRTL-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.02
Rot. Bonds6

About 3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide

3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide (PubChem CID 106101613) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide
PubChem CID106101613
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCC1(O)CCOC1C
InChIInChI=1S/C12H24N2O3/c1-3-10(7-13)6-11(15)14-8-12(16)4-5-17-9(12)2/h9-10,16H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyQNLUJLLBFUGRTL-UHFFFAOYSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]heptanamide
CID 121557397
3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide
CID 106102924
4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 107302167
3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 114094528
3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 136538217
N-(4-hydroxyoxolan-3-yl)-2-methylpentanamide
CID 172384358
N-(2-hydroxy-3-methoxypropyl)-2-pyrrolidin-3-ylacetamide
CID 65956994
2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 75389359
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 75389364
N-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide
CID 79758004
3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide
CID 81079264
3-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81130633

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide (CID 106101613) is 3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide is CCC(CN)CC(=O)NCC1(O)CCOC1C.
What is the InChIKey of 3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide?
The InChIKey is QNLUJLLBFUGRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-10(7-13)6-11(15)14-8-12(16)4-5-17-9(12)2/h9-10,16H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide?
3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide has a molecular weight of 244.33 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide is sourced from PubChem (CID 106101613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).