N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine

C14H27N5O — CID 106574105

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1NCC1CN(C)CCN1C
InChIInChI=1S/C14H27N5O/c1-17-8-9-18(2)13(12-17)11-16-14-15-5-7-19(14)6-4-10-20-3/h5,7,13H,4,6,8-12H2,1-3H3,(H,15,16)
InChIKeyNZUATMRQITUUNG-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.58
Rot. Bonds7

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106574105) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
PubChem CID106574105
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1NCC1CN(C)CCN1C
InChIInChI=1S/C14H27N5O/c1-17-8-9-18(2)13(12-17)11-16-14-15-5-7-19(14)6-4-10-20-3/h5,7,13H,4,6,8-12H2,1-3H3,(H,15,16)
InChIKeyNZUATMRQITUUNG-UHFFFAOYSA-N
XLogP0.58
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine (CID 106574105) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine is COCCCn1ccnc1NCC1CN(C)CCN1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is NZUATMRQITUUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-17-8-9-18(2)13(12-17)11-16-14-15-5-7-19(14)6-4-10-20-3/h5,7,13H,4,6,8-12H2,1-3H3,(H,15,16).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 281.40 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106574105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).