2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide

C14H27N3O2 — CID 82743387

IUPAC2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide
SMILESCC1OCCC1N(C)CCC(C)(NC1CC1)C(N)=O
InChIInChI=1S/C14H27N3O2/c1-10-12(6-9-19-10)17(3)8-7-14(2,13(15)18)16-11-4-5-11/h10-12,16H,4-9H2,1-3H3,(H2,15,18)
InChIKeyCGNKRENHHJUDGP-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.48
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide

2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide (PubChem CID 82743387) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide
PubChem CID82743387
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide
SMILESCC1OCCC1N(C)CCC(C)(NC1CC1)C(N)=O
InChIInChI=1S/C14H27N3O2/c1-10-12(6-9-19-10)17(3)8-7-14(2,13(15)18)16-11-4-5-11/h10-12,16H,4-9H2,1-3H3,(H2,15,18)
InChIKeyCGNKRENHHJUDGP-UHFFFAOYSA-N
XLogP0.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide
CID 82743708
2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82743702
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate
CID 82731222
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107755232
2-amino-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 82745922
2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid
CID 82744273
2-(cyclopropylamino)-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanamide
CID 82743641
2-(cyclopropylamino)-4-[cyclopropyl(cyclopropylmethyl)amino]-2-methylbutanamide
CID 64520054
4-[methyl-(2-methyloxolan-3-yl)amino]butanehydrazide
CID 82753689
4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 115778219

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide (CID 82743387) is 2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide is CC1OCCC1N(C)CCC(C)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide?
The InChIKey is CGNKRENHHJUDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10-12(6-9-19-10)17(3)8-7-14(2,13(15)18)16-11-4-5-11/h10-12,16H,4-9H2,1-3H3,(H2,15,18).
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide?
2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide has a molecular weight of 269.39 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide is sourced from PubChem (CID 82743387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).