6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide

C14H28N2O3 — CID 106101679

IUPAC6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)NCC1(O)CCOC1C
InChIInChI=1S/C14H28N2O3/c1-10(5-4-6-11(2)15)13(17)16-9-14(18)7-8-19-12(14)3/h10-12,18H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyFOYVELXABDHGQC-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.80
Rot. Bonds7

About 6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide

6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide (PubChem CID 106101679) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide
PubChem CID106101679
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)NCC1(O)CCOC1C
InChIInChI=1S/C14H28N2O3/c1-10(5-4-6-11(2)15)13(17)16-9-14(18)7-8-19-12(14)3/h10-12,18H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyFOYVELXABDHGQC-UHFFFAOYSA-N
XLogP0.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide
CID 107302161
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide
CID 114143597
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide
CID 107330119
6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide
CID 114115988
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]hexanoic acid
CID 106102621
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
CID 106101086
methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate
CID 106101091
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide
CID 107301902
3-hydroxy-2-methyl-3-[(sulfamoylamino)methyl]oxolane
CID 107268641

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide?
The IUPAC name of 6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide (CID 106101679) is 6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide?
The canonical SMILES for 6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide is CC(N)CCCC(C)C(=O)NCC1(O)CCOC1C.
What is the InChIKey of 6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide?
The InChIKey is FOYVELXABDHGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(5-4-6-11(2)15)13(17)16-9-14(18)7-8-19-12(14)3/h10-12,18H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide?
6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide has a molecular weight of 272.39 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide is sourced from PubChem (CID 106101679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).