3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide

C14H28N2O2 — CID 114125228

IUPAC3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
SMILESCC1(CNC(=O)CC(N)C(C)(C)C)CCOCC1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)11(15)9-12(17)16-10-14(4)5-7-18-8-6-14/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyPTNZMSBAYNELCO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.68
Rot. Bonds4

About 3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide

3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide (PubChem CID 114125228) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
PubChem CID114125228
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
SMILESCC1(CNC(=O)CC(N)C(C)(C)C)CCOCC1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)11(15)9-12(17)16-10-14(4)5-7-18-8-6-14/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyPTNZMSBAYNELCO-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide
CID 103885066
2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide
CID 103827766
2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742498
tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate
CID 106812233
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide
CID 107163964
(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 103798081
2-(ethylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103812942
1-amino-N-[(4-methyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 103798079
(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 58124625
2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103843990
3-[(4-methyloxan-4-yl)methylamino]butanamide
CID 115893031
3,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
CID 115893014

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide?
The IUPAC name of 3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide (CID 114125228) is 3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide.
What is the SMILES notation for 3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide?
The canonical SMILES for 3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide is CC1(CNC(=O)CC(N)C(C)(C)C)CCOCC1.
What is the InChIKey of 3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide?
The InChIKey is PTNZMSBAYNELCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)11(15)9-12(17)16-10-14(4)5-7-18-8-6-14/h11H,5-10,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide?
3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide has a molecular weight of 256.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide is sourced from PubChem (CID 114125228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).