3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine

C17H31N3 — CID 103965567

IUPAC3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCCn1ccnc1CNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H31N3/c1-6-8-20-9-7-18-15(20)12-19-14-10-16(2,3)13-17(4,5)11-14/h7,9,14,19H,6,8,10-13H2,1-5H3
InChIKeyMACGJLCBPXJGGE-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.99
Rot. Bonds5

About 3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine

3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 103965567) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID103965567
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCCn1ccnc1CNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H31N3/c1-6-8-20-9-7-18-15(20)12-19-14-10-16(2,3)13-17(4,5)11-14/h7,9,14,19H,6,8,10-13H2,1-5H3
InChIKeyMACGJLCBPXJGGE-UHFFFAOYSA-N
XLogP3.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112568401
2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 83032603
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533
3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948
1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one
CID 103967207
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 114164351
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
3-methyl-1,1-dioxo-N-[(1-propylimidazol-2-yl)methyl]thiolan-3-amine
CID 62957012
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine (CID 103965567) is 3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine is CCCn1ccnc1CNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is MACGJLCBPXJGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-8-20-9-7-18-15(20)12-19-14-10-16(2,3)13-17(4,5)11-14/h7,9,14,19H,6,8,10-13H2,1-5H3.
What are the key properties of 3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 103965567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).