3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide

C11H22N2O — CID 107165890

IUPAC3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCC1(C)CC1
InChIInChI=1S/C11H22N2O/c1-9(2)13-10(14)4-7-12-8-11(3)5-6-11/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyZCNMOBFQPBADEE-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.29
Rot. Bonds6

About 3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide

3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 107165890) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID107165890
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCC1(C)CC1
InChIInChI=1S/C11H22N2O/c1-9(2)13-10(14)4-7-12-8-11(3)5-6-11/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyZCNMOBFQPBADEE-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide
CID 65111913
3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide
CID 113410658
3-(2,2-dimethylpropylamino)-N-propan-2-ylpropanamide
CID 62625182
N-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide
CID 79358642
3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
CID 62625373
1-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119703846
4-oxo-N-propan-2-ylbutanamide
CID 87543114
N-propan-2-yl-3-(sulfamoylamino)propanamide
CID 115609040
3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 62625547
N-propan-2-yl-3-(spiro[4.5]decan-8-ylamino)propanamide
CID 114817884
3-(2-methylpentylamino)-N-propan-2-ylpropanamide
CID 115904706
ethyl 3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanoate
CID 62625377

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide (CID 107165890) is 3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNCC1(C)CC1.
What is the InChIKey of 3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is ZCNMOBFQPBADEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)13-10(14)4-7-12-8-11(3)5-6-11/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide?
3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 198.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 107165890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).