N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide

C12H24N2O — CID 60946402

IUPACN-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)N(C)CC1CC1
InChIInChI=1S/C12H24N2O/c1-10(2)13-8-4-5-12(15)14(3)9-11-6-7-11/h10-11,13H,4-9H2,1-3H3
InChIKeyNKDRDXXUJVDWJF-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds7

About N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide

N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide (PubChem CID 60946402) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide
PubChem CID60946402
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)N(C)CC1CC1
InChIInChI=1S/C12H24N2O/c1-10(2)13-8-4-5-12(15)14(3)9-11-6-7-11/h10-11,13H,4-9H2,1-3H3
InChIKeyNKDRDXXUJVDWJF-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 62334150
4-amino-N-(cyclopropylmethyl)-N-methylbutanamide
CID 60946266
N-(2-cyanoethyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850594
N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide
CID 60850238
N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 165153495
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 79313817
N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 61436363
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60849550
N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
5-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 82852241
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide
CID 63631256

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide (CID 60946402) is N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)N(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide?
The InChIKey is NKDRDXXUJVDWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)13-8-4-5-12(15)14(3)9-11-6-7-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide?
N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60946402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).