N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide

C13H28N2O — CID 165153495

IUPACN-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
SMILESCC(C)CN(C)C(=O)CCCCNC(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)10-15(5)13(16)8-6-7-9-14-12(3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyFGICZCNREZUILR-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.27
Rot. Bonds8

About N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide

N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide (PubChem CID 165153495) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
PubChem CID165153495
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
SMILESCC(C)CN(C)C(=O)CCCCNC(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)10-15(5)13(16)8-6-7-9-14-12(3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyFGICZCNREZUILR-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.27
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
N,5-dimethyl-N-(2-methylpropyl)hexanamide
CID 147805766
4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide
CID 155599481
7-amino-N-methyl-N-(2-methylpropyl)heptanamide
CID 43272143
N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 169316878
N,11-dimethyl-N-(2-methylpropyl)-10-oxododecanamide
CID 166695144
N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide
CID 169214766
N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850058
4-amino-N-methyl-N-(2-methylpropyl)butanamide
CID 43272157
N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 156819631
N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide
CID 60850238
N-methyl-N-(2-methylpropyl)-5-propan-2-yloxypentanamide
CID 164715578

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide (CID 165153495) is N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide is CC(C)CN(C)C(=O)CCCCNC(C)C.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide?
The InChIKey is FGICZCNREZUILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)10-15(5)13(16)8-6-7-9-14-12(3)4/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide?
N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide is sourced from PubChem (CID 165153495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).