N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine

C12H24N4 — CID 106142947

IUPACN-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine
SMILESCCn1ccnc1NCC(C)(C)CCCN
InChIInChI=1S/C12H24N4/c1-4-16-9-8-14-11(16)15-10-12(2,3)6-5-7-13/h8-9H,4-7,10,13H2,1-3H3,(H,14,15)
InChIKeyBCQWYVFAMHTNGN-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.08
Rot. Bonds7

About N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine

N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine (PubChem CID 106142947) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine
PubChem CID106142947
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine
SMILESCCn1ccnc1NCC(C)(C)CCCN
InChIInChI=1S/C12H24N4/c1-4-16-9-8-14-11(16)15-10-12(2,3)6-5-7-13/h8-9H,4-7,10,13H2,1-3H3,(H,14,15)
InChIKeyBCQWYVFAMHTNGN-UHFFFAOYSA-N
XLogP2.08
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine?
The IUPAC name of N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine (CID 106142947) is N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine.
What is the SMILES notation for N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine?
The canonical SMILES for N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine is CCn1ccnc1NCC(C)(C)CCCN.
What is the InChIKey of N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine?
The InChIKey is BCQWYVFAMHTNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-16-9-8-14-11(16)15-10-12(2,3)6-5-7-13/h8-9H,4-7,10,13H2,1-3H3,(H,14,15).
What are the key properties of N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine?
N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine is sourced from PubChem (CID 106142947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).