N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine

C10H19N3 — CID 82237976

IUPACN-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ncc(C(C)C)[nH]1
InChIInChI=1S/C10H19N3/c1-7(2)9-5-12-10(13-9)6-11-8(3)4/h5,7-8,11H,6H2,1-4H3,(H,12,13)
InChIKeyQOTGDHXWPLPDTD-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.03
Rot. Bonds4

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

N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine (PubChem CID 82237976) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine
PubChem CID82237976
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ncc(C(C)C)[nH]1
InChIInChI=1S/C10H19N3/c1-7(2)9-5-12-10(13-9)6-11-8(3)4/h5,7-8,11H,6H2,1-4H3,(H,12,13)
InChIKeyQOTGDHXWPLPDTD-UHFFFAOYSA-N
XLogP2.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine (CID 82237976) is N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine is CC(C)NCc1ncc(C(C)C)[nH]1.
What is the InChIKey of N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine?
The InChIKey is QOTGDHXWPLPDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(2)9-5-12-10(13-9)6-11-8(3)4/h5,7-8,11H,6H2,1-4H3,(H,12,13).
What are the key properties of N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine?
N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 82237976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).