N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen

C9H21N3 — CID 142079283

IUPACN-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen
SMILESC.CC(C)CNCc1ncc[nH]1.[H][H]
InChIInChI=1S/C8H15N3.CH4.H2/c1-7(2)5-9-6-8-10-3-4-11-8;;/h3-4,7,9H,5-6H2,1-2H3,(H,10,11);1H4;1H
InChIKeyKZUZKBSBPCXHKL-UHFFFAOYSA-N
MW171.29 g/mol
LogP2.04
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen

N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen (PubChem CID 142079283) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen
PubChem CID142079283
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen
SMILESC.CC(C)CNCc1ncc[nH]1.[H][H]
InChIInChI=1S/C8H15N3.CH4.H2/c1-7(2)5-9-6-8-10-3-4-11-8;;/h3-4,7,9H,5-6H2,1-2H3,(H,10,11);1H4;1H
InChIKeyKZUZKBSBPCXHKL-UHFFFAOYSA-N
XLogP2.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904708
(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 92763391
2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine
CID 119111194
N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine
CID 64546852
N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102610018
N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 115667035
2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422192
1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 72697709
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 119111188
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine
CID 119111767

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen (CID 142079283) is N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen is C.CC(C)CNCc1ncc[nH]1.[H][H].
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen?
The InChIKey is KZUZKBSBPCXHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.CH4.H2/c1-7(2)5-9-6-8-10-3-4-11-8;;/h3-4,7,9H,5-6H2,1-2H3,(H,10,11);1H4;1H.
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen?
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen has a molecular weight of 171.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen is sourced from PubChem (CID 142079283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).