N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine

C11H21N3 — CID 117193160

IUPACN-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine
SMILESCc1ncc(CNC(C)C)n1C(C)C
InChIInChI=1S/C11H21N3/c1-8(2)12-6-11-7-13-10(5)14(11)9(3)4/h7-9,12H,6H2,1-5H3
InChIKeyQSVNRBVEZSJLBP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.27
Rot. Bonds4

About N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine

N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine (PubChem CID 117193160) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine
PubChem CID117193160
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine
SMILESCc1ncc(CNC(C)C)n1C(C)C
InChIInChI=1S/C11H21N3/c1-8(2)12-6-11-7-13-10(5)14(11)9(3)4/h7-9,12H,6H2,1-5H3
InChIKeyQSVNRBVEZSJLBP-UHFFFAOYSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine
CID 84652856
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine
CID 117192902
N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 65172221
1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine
CID 105461211
N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 107310259
N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 65443435
2-[(2-methyl-3-propan-2-ylimidazol-4-yl)methoxy]phenol
CID 117193031
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 107888054
N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine
CID 63321476
N-[[3-(1,3-benzothiazol-2-ylmethyl)-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 104632164
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 115651289
5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine
CID 117192903

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine (CID 117193160) is N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine is Cc1ncc(CNC(C)C)n1C(C)C.
What is the InChIKey of N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine?
The InChIKey is QSVNRBVEZSJLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)12-6-11-7-13-10(5)14(11)9(3)4/h7-9,12H,6H2,1-5H3.
What are the key properties of N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine?
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 117193160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).