N-hexan-2-yl-1H-imidazol-2-amine

C9H17N3 — CID 106569743

IUPACN-hexan-2-yl-1H-imidazol-2-amine
SMILESCCCCC(C)Nc1ncc[nH]1
InChIInChI=1S/C9H17N3/c1-3-4-5-8(2)12-9-10-6-7-11-9/h6-8H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyASPOOINFAMAJOQ-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.40
Rot. Bonds5

About N-hexan-2-yl-1H-imidazol-2-amine

N-hexan-2-yl-1H-imidazol-2-amine (PubChem CID 106569743) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-hexan-2-yl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-hexan-2-yl-1H-imidazol-2-amine
PubChem CID106569743
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-hexan-2-yl-1H-imidazol-2-amine
SMILESCCCCC(C)Nc1ncc[nH]1
InChIInChI=1S/C9H17N3/c1-3-4-5-8(2)12-9-10-6-7-11-9/h6-8H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyASPOOINFAMAJOQ-UHFFFAOYSA-N
XLogP2.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-1H-imidazol-2-amine?
The IUPAC name of N-hexan-2-yl-1H-imidazol-2-amine (CID 106569743) is N-hexan-2-yl-1H-imidazol-2-amine.
What is the SMILES notation for N-hexan-2-yl-1H-imidazol-2-amine?
The canonical SMILES for N-hexan-2-yl-1H-imidazol-2-amine is CCCCC(C)Nc1ncc[nH]1.
What is the InChIKey of N-hexan-2-yl-1H-imidazol-2-amine?
The InChIKey is ASPOOINFAMAJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-4-5-8(2)12-9-10-6-7-11-9/h6-8H,3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of N-hexan-2-yl-1H-imidazol-2-amine?
N-hexan-2-yl-1H-imidazol-2-amine has a molecular weight of 167.26 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-1H-imidazol-2-amine is sourced from PubChem (CID 106569743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).