2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide

C15H28N2O — CID 113323199

IUPAC2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)NCC1(C2CC2)CC1
InChIInChI=1S/C15H28N2O/c1-11(2)6-9-16-14(18)12(3)17-10-15(7-8-15)13-4-5-13/h11-13,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyXDUCBWQUVXASES-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.32
Rot. Bonds8

About 2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide

2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide (PubChem CID 113323199) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide
PubChem CID113323199
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)NCC1(C2CC2)CC1
InChIInChI=1S/C15H28N2O/c1-11(2)6-9-16-14(18)12(3)17-10-15(7-8-15)13-4-5-13/h11-13,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyXDUCBWQUVXASES-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 580420
N-(2-amino-2-oxoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 10058570
N-[1-(5-azaspiro[2.5]octan-5-yl)-1-oxopropan-2-yl]acetamide
CID 86816029
3-[1-(2,2-Dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one
CID 119039818
N-(cyclopropylmethyl)-2-[(2-ethyl-2-methylcyclopentyl)amino]acetamide
CID 126835314
(2R)-N-[(1-cyclopropylcyclopropyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 127645365
(1S)-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclopropane-1-carboxamide
CID 164640590
N-[2-(1-cyclopropylpropan-2-ylamino)-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide
CID 169965412
N-[2-(1-cyclopropylpropan-2-ylamino)-2-oxoethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 169965416
N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide
CID 138753181
2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103742175
N-[(1-cyclopropylcyclopropyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103839402

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide (CID 113323199) is 2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)NCC1(C2CC2)CC1.
What is the InChIKey of 2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide?
The InChIKey is XDUCBWQUVXASES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11(2)6-9-16-14(18)12(3)17-10-15(7-8-15)13-4-5-13/h11-13,17H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide?
2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide has a molecular weight of 252.40 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 113323199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).