1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C15H25N3 — CID 60689135

IUPAC1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCn1ccnc1CNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C15H25N3/c1-14(2)11-5-6-15(14,3)12(9-11)17-10-13-16-7-8-18(13)4/h7-8,11-12,17H,5-6,9-10H2,1-4H3
InChIKeyZVWJUVBESNSERK-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.72
Rot. Bonds3

About 1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 60689135) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID60689135
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCn1ccnc1CNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C15H25N3/c1-14(2)11-5-6-15(14,3)12(9-11)17-10-13-16-7-8-18(13)4/h7-8,11-12,17H,5-6,9-10H2,1-4H3
InChIKeyZVWJUVBESNSERK-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222723
1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 43223186
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 104878460
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222733
N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 60662749
3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 65169925
1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 115630443
N-[(4,5-dibromothiophen-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 102832156
(1S,2R,4S)-N-[(4-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 23619995
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzene-1,2,3-triol
CID 103953120
(1S,2R,4R)-1,7,7-trimethyl-N-[(5-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 99846801

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 60689135) is 1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine is Cn1ccnc1CNC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZVWJUVBESNSERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14(2)11-5-6-15(14,3)12(9-11)17-10-13-16-7-8-18(13)4/h7-8,11-12,17H,5-6,9-10H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 60689135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).