2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine

C11H21N3 — CID 64503751

IUPAC2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
SMILESCn1ccnc1CCCNC(C)(C)C
InChIInChI=1S/C11H21N3/c1-11(2,3)13-7-5-6-10-12-8-9-14(10)4/h8-9,13H,5-7H2,1-4H3
InChIKeyHSMLUCBYYZLSEI-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.74
Rot. Bonds4

About 2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine

2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine (PubChem CID 64503751) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
PubChem CID64503751
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
SMILESCn1ccnc1CCCNC(C)(C)C
InChIInChI=1S/C11H21N3/c1-11(2,3)13-7-5-6-10-12-8-9-14(10)4/h8-9,13H,5-7H2,1-4H3
InChIKeyHSMLUCBYYZLSEI-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
N-tert-butyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528242
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762044
2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine
CID 114528934
2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 114531650
N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine
CID 114531445
1-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propan-2-amine
CID 114527764
N-tert-butyl-4-(1-methylimidazol-2-yl)sulfanylbutan-1-amine
CID 62577482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine (CID 64503751) is 2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine is Cn1ccnc1CCCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine?
The InChIKey is HSMLUCBYYZLSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,3)13-7-5-6-10-12-8-9-14(10)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine?
2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine is sourced from PubChem (CID 64503751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).