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

C12H23N3O2 — CID 82743246

IUPAC2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide
SMILESCN(CCC(NC1CC1)C(N)=O)C1CCOC1
InChIInChI=1S/C12H23N3O2/c1-15(10-5-7-17-8-10)6-4-11(12(13)16)14-9-2-3-9/h9-11,14H,2-8H2,1H3,(H2,13,16)
InChIKeyKYKLBYWVPDDPAD-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.30
Rot. Bonds7

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

2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide (PubChem CID 82743246) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide
PubChem CID82743246
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide
SMILESCN(CCC(NC1CC1)C(N)=O)C1CCOC1
InChIInChI=1S/C12H23N3O2/c1-15(10-5-7-17-8-10)6-4-11(12(13)16)14-9-2-3-9/h9-11,14H,2-8H2,1H3,(H2,13,16)
InChIKeyKYKLBYWVPDDPAD-UHFFFAOYSA-N
XLogP-0.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide
CID 63053076
2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide
CID 63052904
2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide
CID 63055288
2-(cyclopropylamino)-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanamide
CID 82743641
2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 63054217
2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 55227210
methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate
CID 63055370
4-[cyclopropyl(methyl)amino]-2-(ethylamino)butanamide
CID 63027258
2-methyl-3-[methyl(oxolan-3-yl)amino]propanehydrazide
CID 82754042
2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide
CID 63053045
hydrazinyl 3-[methyl(oxolan-3-yl)amino]propanoate
CID 82754758
6-[methyl(oxolan-3-yl)amino]hexanehydrazide
CID 82753777

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide (CID 82743246) is 2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide is CN(CCC(NC1CC1)C(N)=O)C1CCOC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide?
The InChIKey is KYKLBYWVPDDPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-15(10-5-7-17-8-10)6-4-11(12(13)16)14-9-2-3-9/h9-11,14H,2-8H2,1H3,(H2,13,16).
What are the key properties of 2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide?
2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide has a molecular weight of 241.33 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide is sourced from PubChem (CID 82743246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).