N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide

C12H26N4O2 — CID 102995709

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)N(CC)CCCN(C)C)C(N)=NO
InChIInChI=1S/C12H26N4O2/c1-5-10(11(13)14-18)12(17)16(6-2)9-7-8-15(3)4/h10,18H,5-9H2,1-4H3,(H2,13,14)
InChIKeyTZSSDTZRYGJKNJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.56
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide

N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 102995709) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID102995709
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)N(CC)CCCN(C)C)C(N)=NO
InChIInChI=1S/C12H26N4O2/c1-5-10(11(13)14-18)12(17)16(6-2)9-7-8-15(3)4/h10,18H,5-9H2,1-4H3,(H2,13,14)
InChIKeyTZSSDTZRYGJKNJ-UHFFFAOYSA-N
XLogP0.56
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanamide
CID 102992755
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992823
2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992838
2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide
CID 102992798
N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76926674
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide
CID 76925488
2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide
CID 76924759
(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992753
N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide
CID 76929154
6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide
CID 102992830
N-[3-(dimethylamino)propyl]-N-ethylcarbamate
CID 57376301
3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide
CID 76975359

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (CID 102995709) is N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(C(=O)N(CC)CCCN(C)C)C(N)=NO.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is TZSSDTZRYGJKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-5-10(11(13)14-18)12(17)16(6-2)9-7-8-15(3)4/h10,18H,5-9H2,1-4H3,(H2,13,14).
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 258.37 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 102995709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).