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

C13H28N2O — CID 60850238

IUPACN-methyl-N-pentyl-4-(propan-2-ylamino)butanamide
SMILESCCCCCN(C)C(=O)CCCNC(C)C
InChIInChI=1S/C13H28N2O/c1-5-6-7-11-15(4)13(16)9-8-10-14-12(2)3/h12,14H,5-11H2,1-4H3
InChIKeyMOYGHRXSNHCHCK-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.41
Rot. Bonds9

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

N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide (PubChem CID 60850238) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-methyl-N-pentyl-4-(propan-2-ylamino)butanamide
PubChem CID60850238
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-methyl-N-pentyl-4-(propan-2-ylamino)butanamide
SMILESCCCCCN(C)C(=O)CCCNC(C)C
InChIInChI=1S/C13H28N2O/c1-5-6-7-11-15(4)13(16)9-8-10-14-12(2)3/h12,14H,5-11H2,1-4H3
InChIKeyMOYGHRXSNHCHCK-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.41
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-methyl-N-[4-(propan-2-ylamino)butyl]butanamide
CID 169214766
N,N-dipentyl-4-(propan-2-ylamino)butanamide
CID 60947135
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N-(2-cyanoethyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850594
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 62334150
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
N-(5-hydroxyhexyl)-N-methyloctanamide
CID 143646438
N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 165153495
N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60946402
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide (CID 60850238) is N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide is CCCCCN(C)C(=O)CCCNC(C)C.
What is the InChIKey of N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide?
The InChIKey is MOYGHRXSNHCHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-6-7-11-15(4)13(16)9-8-10-14-12(2)3/h12,14H,5-11H2,1-4H3.
What are the key properties of N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide?
N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide has a molecular weight of 228.38 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60850238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).