N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide

C12H26N2O — CID 43136576

IUPACN-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide
SMILESCCCN(CCCN)C(=O)CC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-5-8-14(9-6-7-13)11(15)10-12(2,3)4/h5-10,13H2,1-4H3
InChIKeyYNBYYODFCMLSIW-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.01
Rot. Bonds6

About N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide

N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide (PubChem CID 43136576) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide
PubChem CID43136576
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide
SMILESCCCN(CCCN)C(=O)CC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-5-8-14(9-6-7-13)11(15)10-12(2,3)4/h5-10,13H2,1-4H3
InChIKeyYNBYYODFCMLSIW-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
CID 58848995
N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide
CID 58848482
N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
4-amino-N,N-dipropylbutanamide
CID 12835718
3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide
CID 18736157
N-(3-aminopropyl)-N-butylpropanamide;ethane
CID 142121594
N-(3-aminopropyl)-2-methyl-N-propylpropanamide
CID 43136612
N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide
CID 58848104
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide
CID 58848837
N,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide?
The IUPAC name of N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide (CID 43136576) is N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide is CCCN(CCCN)C(=O)CC(C)(C)C.
What is the InChIKey of N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide?
The InChIKey is YNBYYODFCMLSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-8-14(9-6-7-13)11(15)10-12(2,3)4/h5-10,13H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide?
N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide is sourced from PubChem (CID 43136576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).