3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride

C12H27Cl2N3O — CID 120503647

IUPAC3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride
SMILESCCN(CCNC(=O)C(C)C(C)N)C1CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-4-15(11-5-6-11)8-7-14-12(16)9(2)10(3)13;;/h9-11H,4-8,13H2,1-3H3,(H,14,16);2*1H
InChIKeyULGRSQOQRKQFBP-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.41
Rot. Bonds7

About 3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride

3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride (PubChem CID 120503647) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride
PubChem CID120503647
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride
SMILESCCN(CCNC(=O)C(C)C(C)N)C1CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-4-15(11-5-6-11)8-7-14-12(16)9(2)10(3)13;;/h9-11H,4-8,13H2,1-3H3,(H,14,16);2*1H
InChIKeyULGRSQOQRKQFBP-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride (CID 120503647) is 3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride is CCN(CCNC(=O)C(C)C(C)N)C1CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride?
The InChIKey is ULGRSQOQRKQFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-4-15(11-5-6-11)8-7-14-12(16)9(2)10(3)13;;/h9-11H,4-8,13H2,1-3H3,(H,14,16);2*1H.
What are the key properties of 3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120503647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).