N-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide

C14H32N4O — CID 146507023

IUPACN-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide
SMILESCC(C)CC(CCNCCC(=O)NCCN)N(C)C
InChIInChI=1S/C14H32N4O/c1-12(2)11-13(18(3)4)5-8-16-9-6-14(19)17-10-7-15/h12-13,16H,5-11,15H2,1-4H3,(H,17,19)
InChIKeyCGJCDZDIMKEIFG-UHFFFAOYSA-N
MW272.44 g/mol
LogP0.41
Rot. Bonds11

About N-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide

N-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide (PubChem CID 146507023) has the molecular formula C14H32N4O and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide
PubChem CID146507023
Molecular FormulaC14H32N4O
Molecular Weight272.44 g/mol
Exact Mass272.26
IUPAC NameN-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide
SMILESCC(C)CC(CCNCCC(=O)NCCN)N(C)C
InChIInChI=1S/C14H32N4O/c1-12(2)11-13(18(3)4)5-8-16-9-6-14(19)17-10-7-15/h12-13,16H,5-11,15H2,1-4H3,(H,17,19)
InChIKeyCGJCDZDIMKEIFG-UHFFFAOYSA-N
XLogP0.41
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 170685872
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CID 116905112
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-(6-amino-4-methyl-3-oxohexyl)amino]propanamide
CID 90809348
3-(4-methylpentylamino)-N-propylpropanamide
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N-(2-aminoethyl)-2-[methyl(pentan-3-yl)amino]acetamide
CID 61209052
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[3-[3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propylamino]propyl]amino]propanamide
CID 10579255
N-(2-aminoethyl)butanamide;ethane
CID 143117924
N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide
CID 109027901
N-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine
CID 156750412
N-(2-aminoethyl)-4-methyl-2-propan-2-ylpentanamide
CID 118593084
3-amino-N-[(3S)-3-hydroxybutyl]propanamide
CID 86323935

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide?
The IUPAC name of N-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide (CID 146507023) is N-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide is CC(C)CC(CCNCCC(=O)NCCN)N(C)C.
What is the InChIKey of N-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide?
The InChIKey is CGJCDZDIMKEIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O/c1-12(2)11-13(18(3)4)5-8-16-9-6-14(19)17-10-7-15/h12-13,16H,5-11,15H2,1-4H3,(H,17,19).
What are the key properties of N-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide?
N-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide has a molecular weight of 272.44 g/mol, XLogP of 0.41, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[[3-(dimethylamino)-5-methylhexyl]amino]propanamide is sourced from PubChem (CID 146507023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).