1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine

C8H15N5 — CID 102278962

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine
SMILESC1CNC(CNCC2=NCCN2)=N1
InChIInChI=1S/C8H15N5/c1-2-11-7(10-1)5-9-6-8-12-3-4-13-8/h9H,1-6H2,(H,10,11)(H,12,13)
InChIKeyLWBPXCKHWBHWBG-UHFFFAOYSA-N
MW181.24 g/mol
LogP-1.42
Rot. Bonds4

About 1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine

1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine (PubChem CID 102278962) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine
PubChem CID102278962
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine
SMILESC1CNC(CNCC2=NCCN2)=N1
InChIInChI=1S/C8H15N5/c1-2-11-7(10-1)5-9-6-8-12-3-4-13-8/h9H,1-6H2,(H,10,11)(H,12,13)
InChIKeyLWBPXCKHWBHWBG-UHFFFAOYSA-N
XLogP-1.42
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine (CID 102278962) is 1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine is C1CNC(CNCC2=NCCN2)=N1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine?
The InChIKey is LWBPXCKHWBHWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-2-11-7(10-1)5-9-6-8-12-3-4-13-8/h9H,1-6H2,(H,10,11)(H,12,13).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine?
1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine has a molecular weight of 181.24 g/mol, XLogP of -1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine is sourced from PubChem (CID 102278962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).