N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide

C12H22N4O — CID 66146748

IUPACN,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
SMILESCC(C)NCc1cncn1C(C)C(=O)N(C)C
InChIInChI=1S/C12H22N4O/c1-9(2)14-7-11-6-13-8-16(11)10(3)12(17)15(4)5/h6,8-10,14H,7H2,1-5H3
InChIKeyPIETXRUYANBKPO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.03
Rot. Bonds5

About N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide

N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide (PubChem CID 66146748) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
PubChem CID66146748
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
SMILESCC(C)NCc1cncn1C(C)C(=O)N(C)C
InChIInChI=1S/C12H22N4O/c1-9(2)14-7-11-6-13-8-16(11)10(3)12(17)15(4)5/h6,8-10,14H,7H2,1-5H3
InChIKeyPIETXRUYANBKPO-UHFFFAOYSA-N
XLogP1.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide?
The IUPAC name of N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide (CID 66146748) is N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide?
The canonical SMILES for N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide is CC(C)NCc1cncn1C(C)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide?
The InChIKey is PIETXRUYANBKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)14-7-11-6-13-8-16(11)10(3)12(17)15(4)5/h6,8-10,14H,7H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide?
N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide has a molecular weight of 238.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide is sourced from PubChem (CID 66146748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).