N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride

C13H26Cl2N4O — CID 119597830

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCn1ccnc1.Cl.Cl
InChIInChI=1S/C13H24N4O.2ClH/c1-11(2)8-13(3,9-14)16-12(18)4-6-17-7-5-15-10-17;;/h5,7,10-11H,4,6,8-9,14H2,1-3H3,(H,16,18);2*1H
InChIKeyKWXLWUOMSWZNTB-UHFFFAOYSA-N
MW325.28 g/mol
LogP2.00
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride (PubChem CID 119597830) has the molecular formula C13H26Cl2N4O and a molecular weight of 325.28 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride
PubChem CID119597830
Molecular FormulaC13H26Cl2N4O
Molecular Weight325.28 g/mol
Exact Mass324.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCn1ccnc1.Cl.Cl
InChIInChI=1S/C13H24N4O.2ClH/c1-11(2)8-13(3,9-14)16-12(18)4-6-17-7-5-15-10-17;;/h5,7,10-11H,4,6,8-9,14H2,1-3H3,(H,16,18);2*1H
InChIKeyKWXLWUOMSWZNTB-UHFFFAOYSA-N
XLogP2.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 119600171
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 81487195
N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide
CID 114383724
N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
CID 115283469
3-(3-imidazol-1-ylpropanoylamino)-2,2-dimethylpropanoic acid
CID 115427121
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide
CID 66171307
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 119597627
2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 119599764
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783
(2S)-2-(3-imidazol-1-ylpropanoylamino)pentanoic acid
CID 107564539

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride (CID 119597830) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride is CC(C)CC(C)(CN)NC(=O)CCn1ccnc1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride?
The InChIKey is KWXLWUOMSWZNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.2ClH/c1-11(2)8-13(3,9-14)16-12(18)4-6-17-7-5-15-10-17;;/h5,7,10-11H,4,6,8-9,14H2,1-3H3,(H,16,18);2*1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride has a molecular weight of 325.28 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119597830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).