N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide

C16H26N2O — CID 107365679

IUPACN-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-13(2)14(3)16(19)18(11-7-10-17)12-15-8-5-4-6-9-15/h4-6,8-9,13-14H,7,10-12,17H2,1-3H3
InChIKeyBWPIRIWTTJYRSX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide

N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide (PubChem CID 107365679) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
PubChem CID107365679
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-13(2)14(3)16(19)18(11-7-10-17)12-15-8-5-4-6-9-15/h4-6,8-9,13-14H,7,10-12,17H2,1-3H3
InChIKeyBWPIRIWTTJYRSX-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide
CID 120649030
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride
CID 120648412
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide
CID 120648074
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide
CID 107367320
N-(3-aminopropyl)-N-benzyl-3-(2-methylphenyl)butanamide
CID 120649780
N-(3-aminopropyl)-N-benzyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
CID 120648225
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylacetamide
CID 107366137
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide (CID 107365679) is N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide is CC(C)C(C)C(=O)N(CCCN)Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide?
The InChIKey is BWPIRIWTTJYRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)14(3)16(19)18(11-7-10-17)12-15-8-5-4-6-9-15/h4-6,8-9,13-14H,7,10-12,17H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide?
N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.66, 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-benzyl-2,3-dimethylbutanamide is sourced from PubChem (CID 107365679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).