N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine

C18H35N3 — CID 114531445

IUPACN-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCc1nccn1C)CNC(C)(C)C
InChIInChI=1S/C18H35N3/c1-7-9-11-18(8-2,15-20-17(3,4)5)12-10-16-19-13-14-21(16)6/h13-14,20H,7-12,15H2,1-6H3
InChIKeyLPRXULOQZZZINN-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.33
Rot. Bonds9

About N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine

N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine (PubChem CID 114531445) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine
PubChem CID114531445
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCc1nccn1C)CNC(C)(C)C
InChIInChI=1S/C18H35N3/c1-7-9-11-18(8-2,15-20-17(3,4)5)12-10-16-19-13-14-21(16)6/h13-14,20H,7-12,15H2,1-6H3
InChIKeyLPRXULOQZZZINN-UHFFFAOYSA-N
XLogP4.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,3-bis(chloromethyl)pentyl]-1-methylimidazole
CID 114532819
2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
CID 64503751
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
CID 114529364
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 63024969
2-[3-(chloromethyl)-3-methylhexyl]-1-methylimidazole
CID 114532702
azane;1-methyl-2-propylimidazole
CID 174525892
2-butyl-1-methylimidazole;fluoroform
CID 162050255
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine (CID 114531445) is N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine is CCCCC(CC)(CCc1nccn1C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine?
The InChIKey is LPRXULOQZZZINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-7-9-11-18(8-2,15-20-17(3,4)5)12-10-16-19-13-14-21(16)6/h13-14,20H,7-12,15H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine?
N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 114531445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).