N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide

C13H28N2O — CID 58848995

IUPACN-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
SMILESCCCCN(CCCN)C(=O)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-5-6-9-15(10-7-8-14)12(16)11-13(2,3)4/h5-11,14H2,1-4H3
InChIKeyCEZFNKYYCVMNJR-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.40
Rot. Bonds7

About N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide

N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide (PubChem CID 58848995) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
PubChem CID58848995
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
SMILESCCCCN(CCCN)C(=O)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-5-6-9-15(10-7-8-14)12(16)11-13(2,3)4/h5-11,14H2,1-4H3
InChIKeyCEZFNKYYCVMNJR-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide
CID 58848482
N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide
CID 43136576
N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
N-(3-aminopropyl)-N-butylpropanamide;ethane
CID 142121594
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide
CID 58848837
3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 64684879
N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide
CID 58848104
N,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide
CID 58848463
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide?
The IUPAC name of N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide (CID 58848995) is N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide is CCCCN(CCCN)C(=O)CC(C)(C)C.
What is the InChIKey of N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide?
The InChIKey is CEZFNKYYCVMNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-6-9-15(10-7-8-14)12(16)11-13(2,3)4/h5-11,14H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide?
N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide is sourced from PubChem (CID 58848995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).