N,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine

C12H19N5 — CID 56754685

IUPACN,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine
SMILESCc1[nH]cnc1-c1nccn1CCCN(C)C
InChIInChI=1S/C12H19N5/c1-10-11(15-9-14-10)12-13-5-8-17(12)7-4-6-16(2)3/h5,8-9H,4,6-7H2,1-3H3,(H,14,15)
InChIKeyMROLCIFXCAFWSI-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.53
Rot. Bonds5

About N,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine

N,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine (PubChem CID 56754685) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine
PubChem CID56754685
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine
SMILESCc1[nH]cnc1-c1nccn1CCCN(C)C
InChIInChI=1S/C12H19N5/c1-10-11(15-9-14-10)12-13-5-8-17(12)7-4-6-16(2)3/h5,8-9H,4,6-7H2,1-3H3,(H,14,15)
InChIKeyMROLCIFXCAFWSI-UHFFFAOYSA-N
XLogP1.53
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine (CID 56754685) is N,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine is Cc1[nH]cnc1-c1nccn1CCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine?
The InChIKey is MROLCIFXCAFWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-10-11(15-9-14-10)12-13-5-8-17(12)7-4-6-16(2)3/h5,8-9H,4,6-7H2,1-3H3,(H,14,15).
What are the key properties of N,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine?
N,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine has a molecular weight of 233.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 56754685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).