N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide

C19H39N3O — CID 58848104

IUPACN-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide
SMILESCCCCN(CCCCN1CCN(C)CC1)C(=O)CC(C)(C)C
InChIInChI=1S/C19H39N3O/c1-6-7-11-22(18(23)17-19(2,3)4)12-9-8-10-21-15-13-20(5)14-16-21/h6-17H2,1-5H3
InChIKeyVLJHQEPSZCGTGW-UHFFFAOYSA-N
MW325.54 g/mol
LogP3.08
Rot. Bonds9

About N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide

N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide (PubChem CID 58848104) has the molecular formula C19H39N3O and a molecular weight of 325.54 g/mol. Its IUPAC name is N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide.

Molecular Properties

Compound NameN-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide
PubChem CID58848104
Molecular FormulaC19H39N3O
Molecular Weight325.54 g/mol
Exact Mass325.31
IUPAC NameN-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide
SMILESCCCCN(CCCCN1CCN(C)CC1)C(=O)CC(C)(C)C
InChIInChI=1S/C19H39N3O/c1-6-7-11-22(18(23)17-19(2,3)4)12-9-8-10-21-15-13-20(5)14-16-21/h6-17H2,1-5H3
InChIKeyVLJHQEPSZCGTGW-UHFFFAOYSA-N
XLogP3.08
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide
CID 58848463
N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide
CID 58848482
N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
CID 58848995
N-butyl-N-(5-piperidin-1-ylpentyl)propanamide
CID 142122170
N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide
CID 58848837
N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide
CID 43136576
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
ethane;1-methyl-4-pentylpiperazine
CID 145099418
diethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]propanedioate
CID 10496536
acetylene;1-methyl-4-octylpiperazine
CID 144712197
N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane
CID 178103648

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide?
The IUPAC name of N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide (CID 58848104) is N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide.
What is the SMILES notation for N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide?
The canonical SMILES for N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide is CCCCN(CCCCN1CCN(C)CC1)C(=O)CC(C)(C)C.
What is the InChIKey of N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide?
The InChIKey is VLJHQEPSZCGTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O/c1-6-7-11-22(18(23)17-19(2,3)4)12-9-8-10-21-15-13-20(5)14-16-21/h6-17H2,1-5H3.
What are the key properties of N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide?
N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide has a molecular weight of 325.54 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide is sourced from PubChem (CID 58848104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).