N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride

C12H27Cl2N3O — CID 119874340

IUPACN-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCCN(CCNC(=O)CCCNC)C1CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-3-15(11-6-7-11)10-9-14-12(16)5-4-8-13-2;;/h11,13H,3-10H2,1-2H3,(H,14,16);2*1H
InChIKeyZWYCFUZACHRLID-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.43
Rot. Bonds9

About N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride

N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride (PubChem CID 119874340) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride
PubChem CID119874340
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC NameN-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCCN(CCNC(=O)CCCNC)C1CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-3-15(11-6-7-11)10-9-14-12(16)5-4-8-13-2;;/h11,13H,3-10H2,1-2H3,(H,14,16);2*1H
InChIKeyZWYCFUZACHRLID-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-4-(methylamino)butanamide
CID 62641683
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethylamino)acetamide
CID 103814322
(2S)-2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]propanamide
CID 103814330
3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride
CID 120503647
4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide
CID 79116146
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119895410
N-(3-cyclopropylpropyl)-4-(methylamino)butanamide
CID 115740529
N'-cyclobutyl-N'-ethyl-N-methylethane-1,2-diamine;ethane
CID 142444471
N-(cyclopropylmethyl)-4-(methylamino)butanamide
CID 60841851
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methylpiperidine-1-carboxamide
CID 113229953
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide
CID 103638605

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride?
The IUPAC name of N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride (CID 119874340) is N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride?
The canonical SMILES for N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride is CCN(CCNC(=O)CCCNC)C1CC1.Cl.Cl.
What is the InChIKey of N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride?
The InChIKey is ZWYCFUZACHRLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-3-15(11-6-7-11)10-9-14-12(16)5-4-8-13-2;;/h11,13H,3-10H2,1-2H3,(H,14,16);2*1H.
What are the key properties of N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride?
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119874340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).