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

C14H27N3 — CID 102905476

IUPAC3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine
SMILESCc1nccn1CCNCC(C(C)C)C(C)C
InChIInChI=1S/C14H27N3/c1-11(2)14(12(3)4)10-15-6-8-17-9-7-16-13(17)5/h7,9,11-12,14-15H,6,8,10H2,1-5H3
InChIKeyWKUWKYQOBWLFMC-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.71
Rot. Bonds7

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

3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine (PubChem CID 102905476) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine
PubChem CID102905476
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine
SMILESCc1nccn1CCNCC(C(C)C)C(C)C
InChIInChI=1S/C14H27N3/c1-11(2)14(12(3)4)10-15-6-8-17-9-7-16-13(17)5/h7,9,11-12,14-15H,6,8,10H2,1-5H3
InChIKeyWKUWKYQOBWLFMC-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.71
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

2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63966284
2-chloro-3-methoxy-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 65023643
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 106160254
methyl 2-bromo-3-[2-(2-methylimidazol-1-yl)ethylamino]propanoate
CID 103492286
5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 107319925
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 114136882
2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol
CID 61493788
6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine
CID 107844722
5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 107317411
2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 104760515

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine (CID 102905476) is 3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine is Cc1nccn1CCNCC(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine?
The InChIKey is WKUWKYQOBWLFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(2)14(12(3)4)10-15-6-8-17-9-7-16-13(17)5/h7,9,11-12,14-15H,6,8,10H2,1-5H3.
What are the key properties of 3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine?
3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102905476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).