1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C15H26N4 — CID 80681298

IUPAC1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCn1cnc(CCNC2CC3CCC2(C)C3(C)C)n1
InChIInChI=1S/C15H26N4/c1-14(2)11-5-7-15(14,3)12(9-11)16-8-6-13-17-10-19(4)18-13/h10-12,16H,5-9H2,1-4H3
InChIKeyNTMMFLFTSKVSPK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.16
Rot. Bonds4

About 1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 80681298) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID80681298
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCn1cnc(CCNC2CC3CCC2(C)C3(C)C)n1
InChIInChI=1S/C15H26N4/c1-14(2)11-5-7-15(14,3)12(9-11)16-8-6-13-17-10-19(4)18-13/h10-12,16H,5-9H2,1-4H3
InChIKeyNTMMFLFTSKVSPK-UHFFFAOYSA-N
XLogP2.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 80681012
1,7,7-trimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 103931540
N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 74070093
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine
CID 80681774
1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 43223186
1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 103871913
1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 60689135
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
(1S,2S,4R)-N-(2-methoxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 124572600
2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 80680581

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 80681298) is 1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is Cn1cnc(CCNC2CC3CCC2(C)C3(C)C)n1.
What is the InChIKey of 1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is NTMMFLFTSKVSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-14(2)11-5-7-15(14,3)12(9-11)16-8-6-13-17-10-19(4)18-13/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80681298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).