N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide

C12H26N2O — CID 169214766

IUPACN-methyl-N-[4-(propan-2-ylamino)butyl]butanamide
SMILESCCCC(=O)N(C)CCCCNC(C)C
InChIInChI=1S/C12H26N2O/c1-5-8-12(15)14(4)10-7-6-9-13-11(2)3/h11,13H,5-10H2,1-4H3
InChIKeyLSYRHZOUKKGFAP-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.02
Rot. Bonds8

About N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide

N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide (PubChem CID 169214766) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[4-(propan-2-ylamino)butyl]butanamide
PubChem CID169214766
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-methyl-N-[4-(propan-2-ylamino)butyl]butanamide
SMILESCCCC(=O)N(C)CCCCNC(C)C
InChIInChI=1S/C12H26N2O/c1-5-8-12(15)14(4)10-7-6-9-13-11(2)3/h11,13H,5-10H2,1-4H3
InChIKeyLSYRHZOUKKGFAP-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.02
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-pentyl-4-(propan-2-ylamino)butanamide
CID 60850238
N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 165153495
N,N-dipentyl-4-(propan-2-ylamino)butanamide
CID 60947135
N-(2-cyanoethyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850594
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 62334150
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
N-(3-fluoropropyl)-N-methylbutanamide
CID 169103064
N-methyl-2-(propan-2-ylamino)-N-propylacetamide
CID 60843587
N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
CID 54925398
2-amino-6-[butanoyl(methyl)amino]hexanoic acid
CID 167006066
N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide
CID 79859155

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide?
The IUPAC name of N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide (CID 169214766) is N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide.
What is the SMILES notation for N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide?
The canonical SMILES for N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide is CCCC(=O)N(C)CCCCNC(C)C.
What is the InChIKey of N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide?
The InChIKey is LSYRHZOUKKGFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-8-12(15)14(4)10-7-6-9-13-11(2)3/h11,13H,5-10H2,1-4H3.
What are the key properties of N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide?
N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide has a molecular weight of 214.35 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide is sourced from PubChem (CID 169214766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).