N-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine

C9H17N3 — CID 84652856

IUPACN-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine
SMILESCNCc1cnc(C)n1C(C)C
InChIInChI=1S/C9H17N3/c1-7(2)12-8(3)11-6-9(12)5-10-4/h6-7,10H,5H2,1-4H3
InChIKeyNLJMJBCQSVUXHY-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.49
Rot. Bonds3

About N-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine

N-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine (PubChem CID 84652856) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine
PubChem CID84652856
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine
SMILESCNCc1cnc(C)n1C(C)C
InChIInChI=1S/C9H17N3/c1-7(2)12-8(3)11-6-9(12)5-10-4/h6-7,10H,5H2,1-4H3
InChIKeyNLJMJBCQSVUXHY-UHFFFAOYSA-N
XLogP1.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine
CID 117193160
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine
CID 117192902
1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine
CID 105461211
N-methyl-1-(2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine
CID 65173129
2-[(2-methyl-3-propan-2-ylimidazol-4-yl)methoxy]phenol
CID 117193031
N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine
CID 65173232
N-methyl-1-(3-methylimidazo[1,5-a]pyridin-5-yl)methanamine
CID 83827498
N-methyl-1-[2-methyl-3-(2-methylidenebutyl)imidazol-4-yl]methanamine
CID 66037137
1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65172660
N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine
CID 83827626
1-[3-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65172920
1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 104567631

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine (CID 84652856) is N-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine is CNCc1cnc(C)n1C(C)C.
What is the InChIKey of N-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine?
The InChIKey is NLJMJBCQSVUXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)12-8(3)11-6-9(12)5-10-4/h6-7,10H,5H2,1-4H3.
What are the key properties of N-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine?
N-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine has a molecular weight of 167.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-3-propan-2-ylimidazol-4-yl)methanamine is sourced from PubChem (CID 84652856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).